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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-[(2-methoxyphenyl)methyl]indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-[(2-methoxyphenyl)methyl]indol-3-yl]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-[(2-methoxyphenyl)methyl]-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-[(2-methoxyphenyl)methyl]indol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1-o-anisyl-indol-3-yl)propionic acid Formula: C30H30N2O7S MolecularWeight: 562.6334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4OC)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4OC)C(=O)O

InChI

InChI=1S/C30H30N2O7S/c1-4-5-16-39-23-10-13-25(14-11-23)40(35,36)31-27(30(33)34)17-22-20-32(19-21-8-6-7-9-29(21)38-3)28-15-12-24(37-2)18-26(22)28/h6-15,18,20,27,31H,16-17,19H2,1-3H3,(H,33,34)