N-[2-chloranyl-3-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)phenyl]propane-1-sulfonamide

Systemtic Name: N-[2-chloranyl-3-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)phenyl]propane-1-sulfonamide Openeye Name: N-[2-chloro-5-(4-methylpiperazin-1-yl)-3-(o-tolyl)phenyl]propane-1-sulfonamide CAS Name: N-[2-chloro-3-(2-methylphenyl)-5-(4-methyl-1-piperazinyl)phenyl]-1-propanesulfonamide IUPAC Name: N-[2-chloro-3-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)phenyl]propane-1-sulfonamide Traditional Name: N-[2-chloro-5-(4-methylpiperazino)-3-(o-tolyl)phenyl]propane-1-sulfonamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=C(C(=CC(=C1)N2CCN(CC2)C)C3=CC=CC=C3C)Cl

Isomeric SMILES

CCCS(=O)(=O)NC1=C(C(=CC(=C1)N2CCN(CC2)C)C3=CC=CC=C3C)Cl

InChI

InChI=1S/C21H28ClN3O2S/c1-4-13-28(26,27)23-20-15-17(25-11-9-24(3)10-12-25)14-19(21(20)22)18-8-6-5-7-16(18)2/h5-8,14-15,23H,4,9-13H2,1-3H3