1-methyl-N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-(phenylthio)phenyl]-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-(phenylthio)phenyl]-4-pyrrolidinosulfonyl-pyrrole-2-carboxamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O3S2/c1-24-16-18(30(27,28)25-13-7-8-14-25)15-20(24)22(26)23-19-11-5-6-12-21(19)29-17-9-3-2-4-10-17/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H,23,26)