N-[3-(3,4-dimethylphenyl)sulfonyl-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-(3,4-dimethylphenyl)sulfonyl-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-benzyl-3-(3,4-dimethylphenyl)sulfonyl-4,5-dimethyl-pyrrol-2-yl]-2-fluoro-benzamide CAS Name: N-[3-(3,4-dimethylphenyl)sulfonyl-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-fluorobenzamide IUPAC Name: N-[1-benzyl-3-(3,4-dimethylphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]-2-fluorobenzamide Traditional Name: N-[1-benzyl-3-(3,4-dimethylphenyl)sulfonyl-4,5-dimethyl-pyrrol-2-yl]-2-fluoro-benzamide Formula: C28H27FN2O3S MolecularWeight: 490.588983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4F)C

InChI

InChI=1S/C28H27FN2O3S/c1-18-14-15-23(16-19(18)2)35(33,34)26-20(3)21(4)31(17-22-10-6-5-7-11-22)27(26)30-28(32)24-12-8-9-13-25(24)29/h5-16H,17H2,1-4H3,(H,30,32)