3-[(2-chloranyl-4-phenyl-phenyl)methyl]-2-methyl-N-(phenylsulfonyl)-1-benzothiophene-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-phenyl-phenyl)methyl]-2-methyl-N-(phenylsulfonyl)-1-benzothiophene-5-carboxamide Openeye Name: N-(benzenesulfonyl)-3-[(2-chloro-4-phenyl-phenyl)methyl]-2-methyl-benzothiophene-5-carboxamide CAS Name: N-(benzenesulfonyl)-3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-1-benzothiophene-5-carboxamide IUPAC Name: N-(benzenesulfonyl)-3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-1-benzothiophene-5-carboxamide Traditional Name: N-besyl-3-(2-chloro-4-phenyl-benzyl)-2-methyl-benzothiophene-5-carboxamide Formula: C29H22ClNO3S2 MolecularWeight: 532.07288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=CC(=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3)CC4=C(C=C(C=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3)CC4=C(C=C(C=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C29H22ClNO3S2/c1-19-25(16-22-13-12-21(18-27(22)30)20-8-4-2-5-9-20)26-17-23(14-15-28(26)35-19)29(32)31-36(33,34)24-10-6-3-7-11-24/h2-15,17-18H,16H2,1H3,(H,31,32)