N-[3-methyl-7-phenylmethoxy-1-(phenylsulfonyl)indol-5-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-methyl-7-phenylmethoxy-1-(phenylsulfonyl)indol-5-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(benzenesulfonyl)-7-benzyloxy-3-methyl-indol-5-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxy-5-indolyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(7-benzoxy-1-besyl-3-methyl-indol-5-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C31H23N3O6S2 MolecularWeight: 597.66082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C(C=C(C=C12)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OCC5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CN(C2=C(C=C(C=C12)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OCC5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H23N3O6S2/c1-20-18-33(42(38,39)25-10-6-3-7-11-25)30-26(20)16-23(17-27(30)40-19-21-8-4-2-5-9-21)32-31(35)29-15-22-14-24(34(36)37)12-13-28(22)41-29/h2-18H,19H2,1H3,(H,32,35)