1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide Openeye Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-(3-phenylpropyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide Traditional Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-(3-phenylpropyl)isonipecotamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-23-20-10-9-19(16-21(20)26(28)29)32(30,31)25-14-11-18(12-15-25)22(27)24-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16,18,23H,5,8,11-15H2,1H3,(H,24,27)