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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-[(3-methylphenyl)methyl]indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-(m-tolylmethyl)indol-3-yl]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-[(3-methylphenyl)methyl]-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-[(3-methylphenyl)methyl]indol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-1-(3-methylbenzyl)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)OC)CC4=CC=CC(=C4)C)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)C(=O)O

InChI

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