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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-(2-formamidophenyl)-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-4-(2-formamidophenyl)-2-(2-naphthylsulfonylamino)-4-oxo-butanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-(2-formamidophenyl)-2-(2-naphthalenylsulfonylamino)-4-oxobutanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-(2-formamidophenyl)-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-4-(2-formamidophenyl)-4-keto-2-(2-naphthylsulfonylamino)butyramide Formula: C28H32N6O5S MolecularWeight: 564.65588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC(=O)C2=CC=CC=C2NC=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC(=O)C2=CC=CC=C2NC=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H32N6O5S/c29-28(30)34-13-5-6-19(17-34)16-31-27(37)25(15-26(36)23-9-3-4-10-24(23)32-18-35)33-40(38,39)22-12-11-20-7-1-2-8-21(20)14-22/h1-4,7-12,14,18-19,25,33H,5-6,13,15-17H2,(H3,29,30)(H,31,37)(H,32,35)