N-(2-bromanyl-4-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-14-4-6-18(17(22)12-14)23-21(25)15-8-10-24(11-9-15)30(26,27)16-5-7-19(28-2)20(13-16)29-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,25)