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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-[(4-bromophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(4-bromobenzyl)sulfonyl-isonipecotamide Formula: C22H34BrN3O3S MolecularWeight: 500.49266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H34BrN3O3S/c23-21-8-6-19(7-9-21)18-30(28,29)26-16-10-20(11-17-26)22(27)24-12-5-15-25-13-3-1-2-4-14-25/h6-9,20H,1-5,10-18H2,(H,24,27)