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

Systemtic Name: 3-[(2-chloranyl-4-phenyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide Openeye Name: 3-[(2-chloro-4-phenyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzothiophene-5-carboxamide CAS Name: 3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide IUPAC Name: 3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide Traditional Name: N-amylsulfonyl-3-(2-chloro-4-phenyl-benzyl)-2-methyl-benzothiophene-5-carboxamide Formula: C28H28ClNO3S2 MolecularWeight: 526.10982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)SC(=C2CC3=C(C=C(C=C3)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)SC(=C2CC3=C(C=C(C=C3)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C28H28ClNO3S2/c1-3-4-8-15-35(32,33)30-28(31)23-13-14-27-25(17-23)24(19(2)34-27)16-22-12-11-21(18-26(22)29)20-9-6-5-7-10-20/h5-7,9-14,17-18H,3-4,8,15-16H2,1-2H3,(H,30,31)