N-(1-carbamimidoyl-2-ethoxy-piperidin-3-yl)-2-[2-methyl-6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanamide

Systemtic Name: N-(1-carbamimidoyl-2-ethoxy-piperidin-3-yl)-2-[2-methyl-6-oxidanylidene-5-[(phenylmethyl)sulfonylamino]pyrimidin-1-yl]ethanamide Openeye Name: 2-[5-(benzylsulfonylamino)-2-methyl-6-oxo-pyrimidin-1-yl]-N-(1-carbamimidoyl-2-ethoxy-3-piperidyl)acetamide CAS Name: N-(1-carbamimidoyl-2-ethoxy-3-piperidinyl)-2-[2-methyl-6-oxo-5-[(phenylmethyl)sulfonylamino]-1-pyrimidinyl]acetamide IUPAC Name: 2-[5-(benzylsulfonylamino)-2-methyl-6-oxopyrimidin-1-yl]-N-(1-carbamimidoyl-2-ethoxypiperidin-3-yl)acetamide Traditional Name: N-(1-amidino-2-ethoxy-3-piperidyl)-2-[5-(benzylsulfonylamino)-6-keto-2-methyl-pyrimidin-1-yl]acetamide Formula: C22H31N7O5S MolecularWeight: 505.59044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N)N)NC(=O)CN2C(=NC=C(C2=O)NS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC1C(CCCN1C(=N)N)NC(=O)CN2C(=NC=C(C2=O)NS(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H31N7O5S/c1-3-34-21-17(10-7-11-28(21)22(23)24)26-19(30)13-29-15(2)25-12-18(20(29)31)27-35(32,33)14-16-8-5-4-6-9-16/h4-6,8-9,12,17,21,27H,3,7,10-11,13-14H2,1-2H3,(H3,23,24)(H,26,30)