N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]-3,4-dihydroquinolin-1-yl]ethanamide

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]-3,4-dihydroquinolin-1-yl]ethanamide Openeye Name: 2-[3-(benzylsulfonylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[2-oxo-3-[(phenylmethyl)sulfonylamino]-3,4-dihydroquinolin-1-yl]acetamide IUPAC Name: 2-[3-(benzylsulfonylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[3-(benzylsulfonylamino)-2-keto-3,4-dihydroquinolin-1-yl]acetamide Formula: C24H30N6O5S MolecularWeight: 514.5972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)CN2C3=CC=CC=C3CC(C2=O)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2C3=CC=CC=C3CC(C2=O)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N6O5S/c25-24(26)29-12-6-10-18(22(29)32)27-21(31)14-30-20-11-5-4-9-17(20)13-19(23(30)33)28-36(34,35)15-16-7-2-1-3-8-16/h1-5,7-9,11,18-19,22,28,32H,6,10,12-15H2,(H3,25,26)(H,27,31)/t18-,19?,22?/m0/s1