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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-[(4-methoxyphenyl)methyl]-5-methyl-indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-[(4-methoxyphenyl)methyl]-5-methyl-indol-3-yl]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-[(4-methoxyphenyl)methyl]-5-methyl-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-[(4-methoxyphenyl)methyl]-5-methylindol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methyl-1-p-anisyl-indol-3-yl)propionic acid Formula: C30H30N2O6S MolecularWeight: 546.634

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O6S/c1-4-5-16-38-25-11-13-26(14-12-25)39(35,36)31-28(30(33)34)18-23-20-32(29-15-6-21(2)17-27(23)29)19-22-7-9-24(37-3)10-8-22/h6-15,17,20,28,31H,16,18-19H2,1-3H3,(H,33,34)