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

Systemtic Name: N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-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(=CC=C3)Br)OC

Isomeric SMILES

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

InChI

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