[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] propane-1-sulfonate

Systemtic Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] propane-1-sulfonate Openeye Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]-3-quinolyl] ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(CC)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)OC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)N[C@@H](CC)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4S/c1-3-19-35(32,33)34-27-25(28(31)30-23(4-2)20-13-7-5-8-14-20)22-17-11-12-18-24(22)29-26(27)21-15-9-6-10-16-21/h5-18,23H,3-4,19H2,1-2H3,(H,30,31)/t23-/m0/s1