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

Systemtic Name: N-(3-aminocarbonyl-2-methyl-phenyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-(3-carbamoyl-2-methyl-phenyl)piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-(3-carbamoyl-2-methylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-(3-carbamoyl-2-methylphenyl)piperidine-3-carboxamide Traditional Name: 1-brosyl-N-(3-carbamoyl-2-methyl-phenyl)nipecotamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C20H22BrN3O4S/c1-13-17(19(22)25)5-2-6-18(13)23-20(26)14-4-3-11-24(12-14)29(27,28)16-9-7-15(21)8-10-16/h2,5-10,14H,3-4,11-12H2,1H3,(H2,22,25)(H,23,26)