N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-(4-nitrophenyl)propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-(4-nitrophenyl)propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)-3-(4-nitrophenyl)propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-(2-naphthalenylsulfonylamino)-3-(4-nitrophenyl)propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-(4-nitrophenyl)propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)-3-(4-nitrophenyl)propionamide Formula: C26H30N6O5S MolecularWeight: 538.6186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O5S/c27-26(28)31-13-3-4-19(17-31)16-29-25(33)24(14-18-7-10-22(11-8-18)32(34)35)30-38(36,37)23-12-9-20-5-1-2-6-21(20)15-23/h1-2,5-12,15,19,24,30H,3-4,13-14,16-17H2,(H3,27,28)(H,29,33)