N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-isobutyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-isobutyl-N-[4-(4-methylpiperazino)sulfonylphenyl]benzenesulfonamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S2/c1-17(2)16-18-4-8-20(9-5-18)29(25,26)22-19-6-10-21(11-7-19)30(27,28)24-14-12-23(3)13-15-24/h4-11,17,22H,12-16H2,1-3H3