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

Systemtic Name: 3-[[(naphthalen-2-ylsulfonylamino)-[3-(2-nitrophenyl)propanoyl]amino]methyl]piperidine-1-carboximidamide Openeye Name: 3-[[(2-naphthylsulfonylamino)-[3-(2-nitrophenyl)propanoyl]amino]methyl]piperidine-1-carboxamidine CAS Name: 3-[[(2-naphthalenylsulfonylamino)-[3-(2-nitrophenyl)-1-oxopropyl]amino]methyl]-1-piperidinecarboximidamide IUPAC Name: 3-[[(naphthalen-2-ylsulfonylamino)-[3-(2-nitrophenyl)propanoyl]amino]methyl]piperidine-1-carboximidamide Traditional Name: 3-[[(2-naphthylsulfonylamino)-[3-(2-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=CC=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=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

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