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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloranyl-2-methyl-1-(phenylmethyl)indol-3-yl]propanoic acid Openeye Name: 3-(1-benzyl-5-chloro-2-methyl-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-2-methyl-1-(phenylmethyl)-3-indolyl]propanoic acid IUPAC Name: 3-(1-benzyl-5-chloro-2-methylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(1-benzyl-5-chloro-2-methyl-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propionic acid Formula: C29H27ClN2O5S MolecularWeight: 551.05308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN2O5S/c1-3-4-16-37-23-11-13-24(14-12-23)38(35,36)31-27(29(33)34)18-25-20(2)32(19-21-8-6-5-7-9-21)28-15-10-22(30)17-26(25)28/h5-15,17,27,31H,16,18-19H2,1-2H3,(H,33,34)