N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-naphthalen-2-ylsulfonyl-3-[4-[(2-oxidanylidene-2-phenyl-ethanoyl)amino]phenyl]propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-naphthalen-2-ylsulfonyl-3-[4-[(2-oxidanylidene-2-phenyl-ethanoyl)amino]phenyl]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(2-naphthylsulfonyl)-3-[4-[(2-oxo-2-phenyl-acetyl)amino]phenyl]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[4-[(1,2-dioxo-2-phenylethyl)amino]phenyl]-3-(2-naphthalenylsulfonyl)propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-naphthalen-2-ylsulfonyl-3-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[4-[(2-keto-2-phenyl-acetyl)amino]phenyl]-3-(2-naphthylsulfonyl)propionamide Formula: C34H35N5O5S MolecularWeight: 625.7372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)CC(C2=CC=C(C=C2)NC(=O)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)CC(C2=CC=C(C=C2)NC(=O)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C34H35N5O5S/c35-34(36)39-18-6-7-23(22-39)21-37-31(40)20-30(45(43,44)29-17-14-24-8-4-5-11-27(24)19-29)25-12-15-28(16-13-25)38-33(42)32(41)26-9-2-1-3-10-26/h1-5,8-17,19,23,30H,6-7,18,20-22H2,(H3,35,36)(H,37,40)(H,38,42)