3-chloranyl-2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzenesulfonamide Openeye Name: 3-chloro-2-methyl-N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]benzenesulfonamide CAS Name: 3-chloro-2-methyl-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]benzenesulfonamide IUPAC Name: 3-chloro-2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzenesulfonamide Traditional Name: 3-chloro-2-methyl-N-[4-[4-(m-tolyl)piperazino]butyl]benzenesulfonamide Formula: C22H30ClN3O2S MolecularWeight: 436.0105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C22H30ClN3O2S/c1-18-7-5-8-20(17-18)26-15-13-25(14-16-26)12-4-3-11-24-29(27,28)22-10-6-9-21(23)19(22)2/h5-10,17,24H,3-4,11-16H2,1-2H3