1-methylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: 1-methylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: 1-methylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: 1-methylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-(3-pyrrolidinosulfonylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O5S2/c1-30(26,27)24-13-5-6-16-14-17(9-10-20(16)24)21(25)22-18-7-4-8-19(15-18)31(28,29)23-11-2-3-12-23/h4,7-10,14-15H,2-3,5-6,11-13H2,1H3,(H,22,25)