1-(4-bromophenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide Traditional Name: 1-brosyl-N-(2-methyl-5-nitro-phenyl)nipecotamide Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O5S/c1-13-4-7-16(23(25)26)11-18(13)21-19(24)14-3-2-10-22(12-14)29(27,28)17-8-5-15(20)6-9-17/h4-9,11,14H,2-3,10,12H2,1H3,(H,21,24)