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

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

Systemtic Name:3-[1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-indol-3-yl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
Openeye Name:3-[1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-indol-3-yl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
CAS Name:3-[1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-3-indolyl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
IUPAC Name:3-[1-(1,3-benzodioxol-5-ylmethyl)-5-methoxyindol-3-yl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
Traditional Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1-piperonyl-indol-3-yl)propionic acid
Formula: C30H28N2O8S
MolecularWeight: 576.61692
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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=CC5=C(C=C4)OCO5)C(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C30H28N2O8S/c1-3-4-13-38-22-6-9-24(10-7-22)41(35,36)31-26(30(33)34)15-21-18-32(27-11-8-23(37-2)16-25(21)27)17-20-5-12-28-29(14-20)40-19-39-28/h5-12,14,16,18,26,31H,13,15,17,19H2,1-2H3,(H,33,34)


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