1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-[(2-nitrophenyl)amino]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-[(2-nitrophenyl)amino]ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]isonipecotamide Formula: C21H25N5O7S MolecularWeight: 491.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O7S/c1-15-6-7-17(25(28)29)14-20(15)34(32,33)24-12-8-16(9-13-24)21(27)23-11-10-22-18-4-2-3-5-19(18)26(30)31/h2-7,14,16,22H,8-13H2,1H3,(H,23,27)