N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfonylamino)piperidin-1-yl]ethanamide

Systemtic Name: N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfonylamino)piperidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzenesulfonamido)-2-oxo-1-piperidyl]-N-[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]acetamide CAS Name: 2-[(3S)-3-(benzenesulfonamido)-2-oxo-1-piperidinyl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide IUPAC Name: 2-[(3S)-3-(benzenesulfonamido)-2-oxopiperidin-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide Traditional Name: N-[(1S)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3S)-3-(benzenesulfonamido)-2-keto-piperidino]acetamide Formula: C20H29N5O5S MolecularWeight: 451.53976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)C3=CC=CC=C3)O)C(=N)N

Isomeric SMILES

C1C[C@@H](C(C(C1)C(=N)N)O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29N5O5S/c21-19(22)14-8-4-9-15(18(14)27)23-17(26)12-25-11-5-10-16(20(25)28)24-31(29,30)13-6-2-1-3-7-13/h1-3,6-7,14-16,18,24,27H,4-5,8-12H2,(H3,21,22)(H,23,26)/t14?,15-,16-,18?/m0/s1