3-chloranyl-4-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-N-[4-[4-(m-tolyl)piperazino]butyl]-5-nitro-benzenesulfonamide Formula: C22H29ClN4O4S MolecularWeight: 481.00806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C22H29ClN4O4S/c1-17-6-5-7-19(14-17)26-12-10-25(11-13-26)9-4-3-8-24-32(30,31)20-15-21(23)18(2)22(16-20)27(28)29/h5-7,14-16,24H,3-4,8-13H2,1-2H3