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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloranyl-1-(cyclobutylmethyl)indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(cyclobutylmethyl)indol-3-yl]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(cyclobutylmethyl)-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(cyclobutylmethyl)indol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(cyclobutylmethyl)indol-3-yl]propionic acid Formula: C26H27ClN2O5S MolecularWeight: 515.02098

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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)CC4CCC4)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)Cl)CC4CCC4)C(=O)O

InChI

InChI=1S/C26H27ClN2O5S/c1-2-3-13-34-21-8-10-22(11-9-21)35(32,33)28-24(26(30)31)14-19-17-29(16-18-5-4-6-18)25-12-7-20(27)15-23(19)25/h7-12,15,17-18,24,28H,4-6,13-14,16H2,1H3,(H,30,31)