N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-chloranyl-2-methyl-benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-chloranyl-2-methyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-chloro-2-methyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-2-methylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-2-methylbenzenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-chloro-2-methyl-benzenesulfonamide Formula: C21H17ClN2O2S2 MolecularWeight: 428.95488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C21H17ClN2O2S2/c1-13-12-15(21-23-18-7-3-4-8-19(18)27-21)10-11-17(13)24-28(25,26)20-9-5-6-16(22)14(20)2/h3-12,24H,1-2H3