N-benzo[e][1,3]benzothiazol-2-yl-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[methyl(p-tolylsulfonyl)amino]acetamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[methyl(tosyl)amino]acetamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H19N3O3S2/c1-14-7-10-16(11-8-14)29(26,27)24(2)13-19(25)22-21-23-20-17-6-4-3-5-15(17)9-12-18(20)28-21/h3-12H,13H2,1-2H3,(H,22,23,25)