1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-(3-carbamothioylphenyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-(3-carbamothioylphenyl)pyrrolidine-2-carboxamide Openeye Name: N-(3-carbamothioylphenyl)-1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(3-carbamothioylphenyl)-1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-carbamothioylphenyl)-1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-N-(3-thiocarbamoylphenyl)pyrrolidine-2-carboxamide Formula: C29H26Cl2N4O4S2 MolecularWeight: 629.57714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=S)N)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=S)N)Cl)C=C1

InChI

InChI=1S/C29H26Cl2N4O4S2/c1-17-10-11-18-5-3-9-24(27(18)33-17)39-16-21-22(30)12-13-25(26(21)31)41(37,38)35-14-4-8-23(35)29(36)34-20-7-2-6-19(15-20)28(32)40/h2-3,5-7,9-13,15,23H,4,8,14,16H2,1H3,(H2,32,40)(H,34,36)