ethanedioic acid; 1-[2-(4-phenylphenyl)ethylsulfonyl]-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-quinoline

Systemtic Name: ethanedioic acid; 1-[2-(4-phenylphenyl)ethylsulfonyl]-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-quinoline Openeye Name: oxalic acid; 1-[2-(4-phenylphenyl)ethylsulfonyl]-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-quinoline CAS Name: oxalic acid; 1-[2-(4-phenylphenyl)ethylsulfonyl]-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-quinoline IUPAC Name: oxalic acid; 1-[2-(4-phenylphenyl)ethylsulfonyl]-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-quinoline Traditional Name: oxalic acid; 1-[2-(4-phenylphenyl)ethylsulfonyl]-3-(pyrrolidinomethyl)-3,4-dihydro-2H-quinoline Formula: C30H34N2O6S MolecularWeight: 550.66576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CC3=CC=CC=C3N(C2)S(=O)(=O)CCC4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC2CC3=CC=CC=C3N(C2)S(=O)(=O)CCC4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H32N2O2S.C2H2O4/c31-33(32,19-16-23-12-14-26(15-13-23)25-8-2-1-3-9-25)30-22-24(21-29-17-6-7-18-29)20-27-10-4-5-11-28(27)30;3-1(4)2(5)6/h1-5,8-15,24H,6-7,16-22H2;(H,3,4)(H,5,6)