N-(2-methoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(2-methoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(2-methoxyphenyl)-2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(2-methoxyphenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]butanamide IUPAC Name: N-(2-methoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(2-methoxyphenyl)-2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]butyramide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

InChI

InChI=1S/C25H29N3O4S2/c1-4-23(25(29)27-21-9-5-6-10-22(21)32-3)33-24-15-17(2)19-16-18(11-12-20(19)26-24)34(30,31)28-13-7-8-14-28/h5-6,9-12,15-16,23H,4,7-8,13-14H2,1-3H3,(H,27,29)