N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)-3-phenyl-propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-(2-naphthalenylsulfonylamino)-3-phenylpropanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)-3-phenyl-propionamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N5O3S/c27-26(28)31-14-6-9-20(18-31)17-29-25(32)24(15-19-7-2-1-3-8-19)30-35(33,34)23-13-12-21-10-4-5-11-22(21)16-23/h1-5,7-8,10-13,16,20,24,30H,6,9,14-15,17-18H2,(H3,27,28)(H,29,32)