N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(3-bromobenzyl)piperazino]acetamide Formula: C25H33BrN4O3S MolecularWeight: 549.52352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H33BrN4O3S/c26-22-7-5-6-21(18-22)19-28-14-16-29(17-15-28)20-25(31)27-23-8-10-24(11-9-23)34(32,33)30-12-3-1-2-4-13-30/h5-11,18H,1-4,12-17,19-20H2,(H,27,31)