1-(4-bromophenyl)sulfonyl-N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide Traditional Name: 1-brosyl-N-(2-methoxy-5-methyl-benzyl)-N-methyl-nipecotamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN(C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN(C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN2O4S/c1-16-6-11-21(29-3)18(13-16)14-24(2)22(26)17-5-4-12-25(15-17)30(27,28)20-9-7-19(23)8-10-20/h6-11,13,17H,4-5,12,14-15H2,1-3H3