2-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indol-2-yl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indol-2-yl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[5-(4-tert-butylphenyl)-1-[4-(cyclopentoxy)phenyl]indole-2-carbonyl]amino]ethanesulfonic acid CAS Name: 2-[[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)-2-indolyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indole-2-carbonyl]amino]ethanesulfonic acid Traditional Name: 2-[[5-(4-tert-butylphenyl)-1-[4-(cyclopentoxy)phenyl]indole-2-carbonyl]amino]ethanesulfonic acid Formula: C32H36N2O5S MolecularWeight: 560.70364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C3)C(=O)NCCS(=O)(=O)O)C4=CC=C(C=C4)OC5CCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C3)C(=O)NCCS(=O)(=O)O)C4=CC=C(C=C4)OC5CCCC5

InChI

InChI=1S/C32H36N2O5S/c1-32(2,3)25-11-8-22(9-12-25)23-10-17-29-24(20-23)21-30(31(35)33-18-19-40(36,37)38)34(29)26-13-15-28(16-14-26)39-27-6-4-5-7-27/h8-17,20-21,27H,4-7,18-19H2,1-3H3,(H,33,35)(H,36,37,38)