N-(4-bromanyl-3-methyl-phenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN2O3S/c1-15-4-3-5-17(12-15)14-28(26,27)24-10-8-18(9-11-24)21(25)23-19-6-7-20(22)16(2)13-19/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,23,25)