N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H26N2O3S2/c1-18-5-6-19(2)24(17-18)31-22-11-9-21(10-12-22)26-25(28)20-7-13-23(14-8-20)32(29,30)27-15-3-4-16-27/h5-14,17H,3-4,15-16H2,1-2H3,(H,26,28)