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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide Traditional Name: 1-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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