N-(1,3-benzothiazol-2-yl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[3-(p-tolylmethylsulfonyl)indol-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[3-[(4-methylphenyl)methylsulfonyl]-1-indolyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[3-(4-methylbenzyl)sulfonylindol-1-yl]acetamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=NC5=CC=CC=C5S4

InChI

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