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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(2-chlorophenyl)ethyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[1-(2-chlorophenyl)ethyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[1-(2-chlorophenyl)ethyl]acetamide Formula: C20H31ClN4O3S MolecularWeight: 443.00314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1Cl)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31ClN4O3S/c1-17(18-8-4-5-9-19(18)21)22-20(26)16-23-12-14-25(15-13-23)29(27,28)24-10-6-2-3-7-11-24/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3,(H,22,26)