methyl 2-[4-[1-(4-methylphenyl)sulfonylindol-3-yl]butanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[4-[1-(4-methylphenyl)sulfonylindol-3-yl]butanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[4-[1-(p-tolylsulfonyl)indol-3-yl]butanoylamino]propanoate CAS Name: 3-hydroxy-2-[[4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[4-[1-(4-methylphenyl)sulfonylindol-3-yl]butanoylamino]propanoate Traditional Name: 3-hydroxy-2-[4-(1-tosylindol-3-yl)butanoylamino]propionic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C23H26N2O6S/c1-16-10-12-18(13-11-16)32(29,30)25-14-17(19-7-3-4-8-21(19)25)6-5-9-22(27)24-20(15-26)23(28)31-2/h3-4,7-8,10-14,20,26H,5-6,9,15H2,1-2H3,(H,24,27)