N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-27-18-8-7-17(13-19(18)28-2)29(25,26)23-11-9-14(10-12-23)20(24)22-16-5-3-15(21)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)