N-[(2R)-2-benzamidocyclohexyl]-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-bromophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-brosyl-nipecotamide Formula: C25H30BrN3O4S MolecularWeight: 548.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC([C@@H](C1)NC(=O)C2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H30BrN3O4S/c26-20-12-14-21(15-13-20)34(32,33)29-16-6-9-19(17-29)25(31)28-23-11-5-4-10-22(23)27-24(30)18-7-2-1-3-8-18/h1-3,7-8,12-15,19,22-23H,4-6,9-11,16-17H2,(H,27,30)(H,28,31)/t19?,22-,23?/m1/s1