1-(2-methylpropanoyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(2-methylpropanoyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]piperidine-3-carboxamide Openeye Name: 1-(2-methylpropanoyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]piperidine-3-carboxamide CAS Name: 1-(2-methyl-1-oxopropyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(2-methylpropanoyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]piperidine-3-carboxamide Traditional Name: 1-isobutyryl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]nipecotamide Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC(C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCCC(C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O6S/c1-13(2)19(25)22-10-4-5-14(12-22)18(24)21-9-8-20-16-7-6-15(30(3,28)29)11-17(16)23(26)27/h6-7,11,13-14,20H,4-5,8-10,12H2,1-3H3,(H,21,24)