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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(4-chlorophenyl)propyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(4-chlorophenyl)propyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[1-(4-chlorophenyl)propyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[1-(4-chlorophenyl)propyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[1-(4-chlorophenyl)propyl]acetamide Formula: C21H33ClN4O3S MolecularWeight: 457.02972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClN4O3S/c1-2-20(18-7-9-19(22)10-8-18)23-21(27)17-24-13-15-26(16-14-24)30(28,29)25-11-5-3-4-6-12-25/h7-10,20H,2-6,11-17H2,1H3,(H,23,27)