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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-(cyclobutylmethyl)-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-(cyclobutylmethyl)-5-methoxy-indol-3-yl]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-(cyclobutylmethyl)-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-(cyclobutylmethyl)-5-methoxyindol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-(cyclobutylmethyl)-5-methoxy-indol-3-yl]propionic acid Formula: C27H30N2O6S MolecularWeight: 510.6019

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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)CC4CCC4)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)OC)CC4CCC4)C(=O)O

InChI

InChI=1S/C27H30N2O6S/c1-3-4-14-35-21-8-11-23(12-9-21)36(32,33)28-25(27(30)31)15-20-18-29(17-19-6-5-7-19)26-13-10-22(34-2)16-24(20)26/h8-13,16,18-19,25,28H,5-7,14-15,17H2,1-2H3,(H,30,31)