1-(4-bromophenyl)sulfonyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide Traditional Name: 1-brosyl-N-(4-ethoxybenzyl)-N-methyl-nipecotamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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