N-(3-cyanophenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-cyanophenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-cyanophenyl)-2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-cyanophenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]butanamide IUPAC Name: N-(3-cyanophenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-cyanophenyl)-2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]butyramide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

InChI

InChI=1S/C25H26N4O3S2/c1-3-23(25(30)27-19-8-6-7-18(14-19)16-26)33-24-13-17(2)21-15-20(9-10-22(21)28-24)34(31,32)29-11-4-5-12-29/h6-10,13-15,23H,3-5,11-12H2,1-2H3,(H,27,30)