N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C20H22N4O4S3 MolecularWeight: 478.60808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H22N4O4S3/c1-23-15-12-21-20(23)29-17-6-4-16(5-7-17)22-30(25,26)18-8-10-19(11-9-18)31(27,28)24-13-2-3-14-24/h4-12,15,22H,2-3,13-14H2,1H3