2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloranyl-2-methyl-1-(2-methylpropyl)indol-3-yl]propanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloranyl-2-methyl-1-(2-methylpropyl)indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-chloro-1-isobutyl-2-methyl-indol-3-yl)propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-2-methyl-1-(2-methylpropyl)-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-2-methyl-1-(2-methylpropyl)indol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-chloro-1-isobutyl-2-methyl-indol-3-yl)propionic acid Formula: C26H29ClN2O5S MolecularWeight: 517.03686

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=C(N(C3=C2C=C(C=C3)Cl)CC(C)C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=C(N(C3=C2C=C(C=C3)Cl)CC(C)C)C)C(=O)O

InChI

InChI=1S/C26H29ClN2O5S/c1-5-6-13-34-20-8-10-21(11-9-20)35(32,33)28-24(26(30)31)15-22-18(4)29(16-17(2)3)25-12-7-19(27)14-23(22)25/h7-12,14,17,24,28H,13,15-16H2,1-4H3,(H,30,31)