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

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

Systemtic Name:3-[1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-methyl-indol-3-yl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
Openeye Name:3-[1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-methyl-indol-3-yl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
CAS Name:3-[1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-methyl-3-indolyl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
IUPAC Name:3-[1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-methylindol-3-yl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
Traditional Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-2-methyl-1-piperonyl-indol-3-yl)propionic acid
Formula: C31H30N2O8S
MolecularWeight: 590.6435
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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)OC)CC4=CC5=C(C=C4)OCO5)C)C(=O)O


Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=C(N(C3=C2C=C(C=C3)OC)CC4=CC5=C(C=C4)OCO5)C)C(=O)O


InChI

InChI=1S/C31H30N2O8S/c1-4-5-14-39-22-7-10-24(11-8-22)42(36,37)32-27(31(34)35)17-25-20(2)33(28-12-9-23(38-3)16-26(25)28)18-21-6-13-29-30(15-21)41-19-40-29/h6-13,15-16,27,32H,14,17-19H2,1-3H3,(H,34,35)


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