2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(4-bromophenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(4-bromophenyl)ethyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[1-(4-bromophenyl)ethyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[1-(4-bromophenyl)ethyl]acetamide Formula: C20H31BrN4O3S MolecularWeight: 487.45414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31BrN4O3S/c1-17(18-6-8-19(21)9-7-18)22-20(26)16-23-12-14-25(15-13-23)29(27,28)24-10-4-2-3-5-11-24/h6-9,17H,2-5,10-16H2,1H3,(H,22,26)