N-(2,4-dimethylphenyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,4-dimethylphenyl)-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5S/c1-14-4-6-18(15(2)12-14)23-21(26)16-8-10-24(11-9-16)31(29,30)17-5-7-19(22-3)20(13-17)25(27)28/h4-7,12-13,16,22H,8-11H2,1-3H3,(H,23,26)