1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-methyl-piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-methyl-piperidine-4-carboxamide Openeye Name: 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]-N-methyl-piperidine-4-carboxamide CAS Name: 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-methylpiperidine-4-carboxamide Traditional Name: 1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-N-methyl-isonipecotamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CNC(=O)C1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N5O4S/c1-30-26(33)20-11-13-32(14-12-20)27(34)24(16-18-5-4-8-22(15-18)25(28)29)31-37(35,36)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,31H,11-14,16H2,1H3,(H3,28,29)(H,30,33)/t24-/m0/s1