3-[[(naphthalen-2-ylsulfonylamino)-[3-(4-nitrophenyl)propanoyl]amino]methyl]piperidine-1-carboximidamide

Systemtic Name: 3-[[(naphthalen-2-ylsulfonylamino)-[3-(4-nitrophenyl)propanoyl]amino]methyl]piperidine-1-carboximidamide Openeye Name: 3-[[(2-naphthylsulfonylamino)-[3-(4-nitrophenyl)propanoyl]amino]methyl]piperidine-1-carboxamidine CAS Name: 3-[[(2-naphthalenylsulfonylamino)-[3-(4-nitrophenyl)-1-oxopropyl]amino]methyl]-1-piperidinecarboximidamide IUPAC Name: 3-[[(naphthalen-2-ylsulfonylamino)-[3-(4-nitrophenyl)propanoyl]amino]methyl]piperidine-1-carboximidamide Traditional Name: 3-[[(2-naphthylsulfonylamino)-[3-(4-nitrophenyl)propanoyl]amino]methyl]piperidine-1-carboxamidine Formula: C26H30N6O5S MolecularWeight: 538.6186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CN(C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CN(C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

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