N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2-quinolylsulfanyl)propanamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-quinolinylthio)propanamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-(2-quinolylthio)propionamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4C=C3

InChI

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