ethanoic acid; 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide

Systemtic Name: ethanoic acid; 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide Openeye Name: acetic acid; 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide CAS Name: acetic acid; 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide IUPAC Name: acetic acid; 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide Traditional Name: acetic acid; 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C.CC(=O)O

InChI

InChI=1S/C21H18N2O2S2.C2H4O2/c1-14-3-10-18(11-4-14)27(24,25)23-17-8-6-16(7-9-17)21-22-19-12-5-15(2)13-20(19)26-21;1-2(3)4/h3-13,23H,1-2H3;1H3,(H,3,4)