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

Systemtic Name: 2-methyl-N-pentylsulfonyl-3-[(4-phenylphenyl)methyl]-1-benzothiophene-5-carboxamide Openeye Name: 2-methyl-N-pentylsulfonyl-3-[(4-phenylphenyl)methyl]benzothiophene-5-carboxamide CAS Name: 2-methyl-N-pentylsulfonyl-3-[(4-phenylphenyl)methyl]-1-benzothiophene-5-carboxamide IUPAC Name: 2-methyl-N-pentylsulfonyl-3-[(4-phenylphenyl)methyl]-1-benzothiophene-5-carboxamide Traditional Name: N-amylsulfonyl-2-methyl-3-(4-phenylbenzyl)benzothiophene-5-carboxamide Formula: C28H29NO3S2 MolecularWeight: 491.66476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO3S2/c1-3-4-8-17-34(31,32)29-28(30)24-15-16-27-26(19-24)25(20(2)33-27)18-21-11-13-23(14-12-21)22-9-6-5-7-10-22/h5-7,9-16,19H,3-4,8,17-18H2,1-2H3,(H,29,30)