N-[(2S)-1-[[(2S)-3-[(2-cyanophenyl)sulfonyl-methyl-amino]-2-oxidanyl-propyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S)-3-[(2-cyanophenyl)sulfonyl-methyl-amino]-2-oxidanyl-propyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-2-[[(2S)-3-[(2-cyanophenyl)sulfonyl-methyl-amino]-2-hydroxy-propyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[[(2S)-3-[(2-cyanophenyl)sulfonyl-methylamino]-2-hydroxypropyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[[(2S)-3-[(2-cyanophenyl)sulfonyl-methylamino]-2-hydroxypropyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-2-[[(2S)-3-[(2-cyanophenyl)sulfonyl-methyl-amino]-2-hydroxy-propyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C29H34N4O5S2 MolecularWeight: 582.73406

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CNC(=O)C(CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3S2)O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN(C[C@H](CNC(=O)[C@H](CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3S2)O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C29H34N4O5S2/c1-33(40(37,38)27-14-8-6-12-22(27)17-30)19-23(34)18-31-28(35)24(15-20-9-3-2-4-10-20)32-29(36)26-16-21-11-5-7-13-25(21)39-26/h5-8,11-14,16,20,23-24,34H,2-4,9-10,15,18-19H2,1H3,(H,31,35)(H,32,36)/t23-,24-/m0/s1