N-(4-methyl-1,3-benzothiazol-2-yl)-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanamide Openeye Name: 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[3-(phenylmethyl)sulfonyl-1-indolyl]acetamide IUPAC Name: 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S2/c1-17-8-7-13-21-24(17)27-25(32-21)26-23(29)15-28-14-22(19-11-5-6-12-20(19)28)33(30,31)16-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,26,27,29)