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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloranyl-1-(pyridin-3-ylmethyl)indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(3-pyridylmethyl)indol-3-yl]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(3-pyridinylmethyl)-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(pyridin-3-ylmethyl)indol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(3-pyridylmethyl)indol-3-yl]propionic acid Formula: C27H24ClN3O5S MolecularWeight: 538.01456

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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)CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)Cl)CC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C27H24ClN3O5S/c1-2-3-13-36-22-7-9-23(10-8-22)37(34,35)30-25(27(32)33)14-20-18-31(17-19-5-4-12-29-16-19)26-11-6-21(28)15-24(20)26/h4-12,15-16,18,25,30H,13-14,17H2,1H3,(H,32,33)