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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1-pentyl-indol-3-yl)propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1-pentyl-indol-3-yl)propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1-pentyl-3-indolyl)propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1-pentylindol-3-yl)propanoic acid Traditional Name: 3-(1-amyl-5-methoxy-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propionic acid Formula: C27H32N2O6S MolecularWeight: 512.61778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C2=C1C=CC(=C2)OC)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCCCCN1C=C(C2=C1C=CC(=C2)OC)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C27H32N2O6S/c1-4-6-8-15-29-19-20(24-18-22(34-3)11-14-26(24)29)17-25(27(30)31)28-36(32,33)23-12-9-21(10-13-23)35-16-7-5-2/h9-14,18-19,25,28H,4,6,8,15-17H2,1-3H3,(H,30,31)