N-(1,3-benzothiazol-2-ylmethyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[methyl(p-tolylsulfonyl)amino]benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[methyl(tosyl)amino]benzamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O3S2/c1-16-7-13-19(14-8-16)31(28,29)26(2)18-11-9-17(10-12-18)23(27)24-15-22-25-20-5-3-4-6-21(20)30-22/h3-14H,15H2,1-2H3,(H,24,27)