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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-(phenylmethyl)indol-3-yl]propanoic acid Openeye Name: 3-(1-benzyl-5-methoxy-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-(phenylmethyl)-3-indolyl]propanoic acid IUPAC Name: 3-(1-benzyl-5-methoxyindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(1-benzyl-5-methoxy-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propionic acid Formula: C29H28N2O6S MolecularWeight: 532.60742

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

InChI

InChI=1S/C29H28N2O6S/c1-3-4-16-37-23-10-13-25(14-11-23)38(34,35)30-27(29(32)33)17-22-20-31(19-21-8-6-5-7-9-21)28-15-12-24(36-2)18-26(22)28/h5-15,18,20,27,30H,16-17,19H2,1-2H3,(H,32,33)