N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-4-methyl-benzenesulfonamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C21H26ClN3O3S/c1-15(2)21(26)25-13-11-24(12-14-25)20-18(22)5-4-6-19(20)23-29(27,28)17-9-7-16(3)8-10-17/h4-10,15,23H,11-14H2,1-3H3