4-methoxy-N-[2-(phenylmethylsulfanyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methoxy-N-[2-(phenylmethylsulfanyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-benzylsulfanylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-[2-(phenylmethylthio)phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-benzylsulfanylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(benzylthio)phenyl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H26N2O4S2/c1-31-22-14-13-20(17-24(22)33(29,30)27-15-7-8-16-27)25(28)26-21-11-5-6-12-23(21)32-18-19-9-3-2-4-10-19/h2-6,9-14,17H,7-8,15-16,18H2,1H3,(H,26,28)