2-[(4-ethoxyphenyl)sulfonylamino]-3-(1-methylindol-3-yl)propanoic acid

Systemtic Name: 2-[(4-ethoxyphenyl)sulfonylamino]-3-(1-methylindol-3-yl)propanoic acid Openeye Name: 2-[(4-ethoxyphenyl)sulfonylamino]-3-(1-methylindol-3-yl)propanoic acid CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]-3-(1-methyl-3-indolyl)propanoic acid IUPAC Name: 2-[(4-ethoxyphenyl)sulfonylamino]-3-(1-methylindol-3-yl)propanoic acid Traditional Name: 3-(1-methylindol-3-yl)-2-(p-phenetylsulfonylamino)propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-3-27-15-8-10-16(11-9-15)28(25,26)21-18(20(23)24)12-14-13-22(2)19-7-5-4-6-17(14)19/h4-11,13,18,21H,3,12H2,1-2H3,(H,23,24)