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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloranyl-1-(cyclohexylmethyl)indol-3-yl]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(cyclohexylmethyl)indol-3-yl]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(cyclohexylmethyl)-3-indolyl]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(cyclohexylmethyl)indol-3-yl]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-chloro-1-(cyclohexylmethyl)indol-3-yl]propionic acid Formula: C28H31ClN2O5S MolecularWeight: 543.07414

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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)Cl)CC4CCCCC4)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)Cl)CC4CCCCC4)C(=O)O

InChI

InChI=1S/C28H31ClN2O5S/c1-2-3-15-36-23-10-12-24(13-11-23)37(34,35)30-26(28(32)33)16-21-19-31(18-20-7-5-4-6-8-20)27-14-9-22(29)17-25(21)27/h9-14,17,19-20,26,30H,4-8,15-16,18H2,1H3,(H,32,33)