N-[(1S,2R)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-3-(naphthalen-1-ylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]ethanamide

Systemtic Name: N-[(1S,2R)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-3-(naphthalen-1-ylsulfonylamino)-2-oxidanylidene-piperidin-1-yl]ethanamide Openeye Name: N-[(1S,2R)-3-carbamimidoyl-2-hydroxy-cyclohexyl]-2-[(3S)-3-(1-naphthylsulfonylamino)-2-oxo-1-piperidyl]acetamide CAS Name: N-[(1S,2R)-3-carbamimidoyl-2-hydroxycyclohexyl]-2-[(3S)-3-(1-naphthalenylsulfonylamino)-2-oxo-1-piperidinyl]acetamide IUPAC Name: N-[(1S,2R)-3-carbamimidoyl-2-hydroxycyclohexyl]-2-[(3S)-3-(naphthalen-1-ylsulfonylamino)-2-oxopiperidin-1-yl]acetamide Traditional Name: N-[(1S,2R)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3S)-2-keto-3-(1-naphthylsulfonylamino)piperidino]acetamide Formula: C24H31N5O5S MolecularWeight: 501.59844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)O)C(=N)N

Isomeric SMILES

C1C[C@@H]([C@@H](C(C1)C(=N)N)O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H31N5O5S/c25-23(26)17-9-4-10-18(22(17)31)27-21(30)14-29-13-5-11-19(24(29)32)28-35(33,34)20-12-3-7-15-6-1-2-8-16(15)20/h1-3,6-8,12,17-19,22,28,31H,4-5,9-11,13-14H2,(H3,25,26)(H,27,30)/t17?,18-,19-,22+/m0/s1