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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloranyl-1-(2-methylpropyl)indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-chloro-1-isobutyl-indol-3-yl)propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(2-methylpropyl)-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(2-methylpropyl)indol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-chloro-1-isobutyl-indol-3-yl)propionic acid Formula: C25H27ClN2O5S MolecularWeight: 503.01028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O5S/c1-4-5-12-33-20-7-9-21(10-8-20)34(31,32)27-23(25(29)30)13-18-16-28(15-17(2)3)24-11-6-19(26)14-22(18)24/h6-11,14,16-17,23,27H,12-13,15H2,1-3H3,(H,29,30)