N-[1-(1-carbamimidoylpiperidin-3-yl)-3-oxidanylidene-propan-2-yl]-2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]ethanamide

Systemtic Name: N-[1-(1-carbamimidoylpiperidin-3-yl)-3-oxidanylidene-propan-2-yl]-2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]ethanamide Openeye Name: 2-[3-(benzylsulfonylamino)-2-oxo-1-pyridyl]-N-[1-[(1-carbamimidoyl-3-piperidyl)methyl]-2-oxo-ethyl]acetamide CAS Name: N-[1-(1-carbamimidoyl-3-piperidinyl)-3-oxopropan-2-yl]-2-[2-oxo-3-[(phenylmethyl)sulfonylamino]-1-pyridinyl]acetamide IUPAC Name: 2-[3-(benzylsulfonylamino)-2-oxopyridin-1-yl]-N-[1-(1-carbamimidoylpiperidin-3-yl)-3-oxopropan-2-yl]acetamide Traditional Name: N-[1-[(1-amidino-3-piperidyl)methyl]-2-keto-ethyl]-2-[3-(benzylsulfonylamino)-2-keto-1-pyridyl]acetamide Formula: C23H30N6O5S MolecularWeight: 502.5865

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CC(C=O)NC(=O)CN2C=CC=C(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CC(C=O)NC(=O)CN2C=CC=C(C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,5-7,9-10,15,18-19,27H,4,8,11-14,16H2,(H3,24,25)(H,26,31)