N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanamide

Systemtic Name: N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanamide Openeye Name: N-(1-carbamimidoyl-3-piperidyl)-N-methyl-2-(2-naphthylsulfonylamino)-4-oxo-butanamide CAS Name: N-(1-carbamimidoyl-3-piperidinyl)-N-methyl-2-(2-naphthalenylsulfonylamino)-4-oxobutanamide IUPAC Name: N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanamide Traditional Name: N-(1-amidino-3-piperidyl)-4-keto-N-methyl-2-(2-naphthylsulfonylamino)butyramide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=N)N)C(=O)C(CC=O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN(C1CCCN(C1)C(=N)N)C(=O)C(CC=O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H27N5O4S/c1-25(17-7-4-11-26(14-17)21(22)23)20(28)19(10-12-27)24-31(29,30)18-9-8-15-5-2-3-6-16(15)13-18/h2-3,5-6,8-9,12-13,17,19,24H,4,7,10-11,14H2,1H3,(H3,22,23)