N-(2-bromophenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-bromophenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(2-bromophenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-bromophenyl)-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-bromophenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(2-bromophenyl)-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2Br)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2Br)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H25BrN2O3S/c22-19-10-4-5-11-20(19)23-21(25)18-12-14-24(15-13-18)28(26,27)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,25)