3-chloranyl-4-methyl-N-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]benzenesulfonamide Openeye Name: 3-chloro-N-[6-(4-isobutylpiperazin-1-yl)-3-pyridyl]-4-methyl-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]benzenesulfonamide Traditional Name: 3-chloro-N-[6-(4-isobutylpiperazino)-3-pyridyl]-4-methyl-benzenesulfonamide Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O2S/c1-15(2)14-24-8-10-25(11-9-24)20-7-5-17(13-22-20)23-28(26,27)18-6-4-16(3)19(21)12-18/h4-7,12-13,15,23H,8-11,14H2,1-3H3