N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[6-methyl-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]ethanamide

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[6-methyl-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]ethanamide Openeye Name: 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridyl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[6-methyl-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-pyridinyl]acetamide IUPAC Name: 2-[3-(benzylsulfonylamino)-6-methyl-2-oxopyridin-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-6-methyl-1-pyridyl]acetamide Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC(=O)NC2CCCN(C2O)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C(=O)N1CC(=O)N[C@H]2CCCN(C2O)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N6O5S/c1-14-9-10-17(25-33(31,32)13-15-6-3-2-4-7-15)20(30)27(14)12-18(28)24-16-8-5-11-26(19(16)29)21(22)23/h2-4,6-7,9-10,16,19,25,29H,5,8,11-13H2,1H3,(H3,22,23)(H,24,28)/t16-,19?/m0/s1