N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(o-tolylmethylsulfonyl)indol-1-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]-1-indolyl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(2-methylbenzyl)sulfonylindol-1-yl]acetamide Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5C

InChI

InChI=1S/C27H25N3O4S2/c1-3-34-20-12-13-22-24(14-20)35-27(28-22)29-26(31)16-30-15-25(21-10-6-7-11-23(21)30)36(32,33)17-19-9-5-4-8-18(19)2/h4-15H,3,16-17H2,1-2H3,(H,28,29,31)