1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-chloranylphenoxy)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-chloranylphenoxy)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-chlorophenoxy)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(2-chlorophenoxy)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-chlorophenoxy)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(2-chlorophenoxy)propan-1-one Formula: C19H28ClN3O4S MolecularWeight: 429.96132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C19H28ClN3O4S/c1-16(27-18-9-5-4-8-17(18)20)19(24)21-12-14-23(15-13-21)28(25,26)22-10-6-2-3-7-11-22/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3