(6S,8aS)-2-(2,2-diphenylethylsulfonyl)-N-[[1-[(Z)-N'-oxidanylcarbamimidoyl]piperidin-4-yl]methyl]-4-oxidanylidene-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide

Systemtic Name: (6S,8aS)-2-(2,2-diphenylethylsulfonyl)-N-[[1-[(Z)-N'-oxidanylcarbamimidoyl]piperidin-4-yl]methyl]-4-oxidanylidene-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide Openeye Name: (6S,8aS)-2-(2,2-diphenylethylsulfonyl)-N-[[1-[(Z)-N'-hydroxycarbamimidoyl]-4-piperidyl]methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide CAS Name: (6S,8aS)-N-[[1-[(Z)-amino(hydroxyimino)methyl]-4-piperidinyl]methyl]-2-(2,2-diphenylethylsulfonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide IUPAC Name: (6S,8aS)-2-(2,2-diphenylethylsulfonyl)-N-[[1-[(Z)-N'-hydroxycarbamimidoyl]piperidin-4-yl]methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide Traditional Name: (6S,8aS)-N-[[1-[(Z)-aminocarbohydroximoyl]-4-piperidyl]methyl]-2-(2,2-diphenylethylsulfonyl)-4-keto-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide Formula: C29H38N6O5S MolecularWeight: 582.71422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C1CN(CC2=O)S(=O)(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NCC5CCN(CC5)C(=NO)N

Isomeric SMILES

C1C[C@H](N2[C@@H]1CN(CC2=O)S(=O)(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NCC5CCN(CC5)/C(=N\O)/N

InChI

InChI=1S/C29H38N6O5S/c30-29(32-38)33-15-13-21(14-16-33)17-31-28(37)26-12-11-24-18-34(19-27(36)35(24)26)41(39,40)20-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,21,24-26,38H,11-20H2,(H2,30,32)(H,31,37)/t24-,26-/m0/s1