1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-[3-(3-methoxyphenyl)propyl]isonipecotamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H29BrN2O4S/c1-30-22-6-2-4-18(16-22)5-3-13-25-23(27)20-11-14-26(15-12-20)31(28,29)17-19-7-9-21(24)10-8-19/h2,4,6-10,16,20H,3,5,11-15,17H2,1H3,(H,25,27)