2-[2-azanyl-3-(4-methylphenyl)sulfonyl-4-(quinolin-2-ylmethoxy)phenyl]-2-cyclopentyl-ethanoic acid

Systemtic Name: 2-[2-azanyl-3-(4-methylphenyl)sulfonyl-4-(quinolin-2-ylmethoxy)phenyl]-2-cyclopentyl-ethanoic acid Openeye Name: 2-[2-amino-3-(p-tolylsulfonyl)-4-(2-quinolylmethoxy)phenyl]-2-cyclopentyl-acetic acid CAS Name: 2-[2-amino-3-(4-methylphenyl)sulfonyl-4-(2-quinolinylmethoxy)phenyl]-2-cyclopentylacetic acid IUPAC Name: 2-[2-amino-3-(4-methylphenyl)sulfonyl-4-(quinolin-2-ylmethoxy)phenyl]-2-cyclopentylacetic acid Traditional Name: 2-[2-amino-4-(2-quinolylmethoxy)-3-tosyl-phenyl]-2-cyclopentyl-acetic acid Formula: C30H30N2O5S MolecularWeight: 530.6346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2N)C(C3CCCC3)C(=O)O)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2N)C(C3CCCC3)C(=O)O)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H30N2O5S/c1-19-10-14-23(15-11-19)38(35,36)29-26(37-18-22-13-12-20-6-4-5-9-25(20)32-22)17-16-24(28(29)31)27(30(33)34)21-7-2-3-8-21/h4-6,9-17,21,27H,2-3,7-8,18,31H2,1H3,(H,33,34)