methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(1-tosylisonipecotoyl)amino]propionic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C25H29N3O5S/c1-17-7-9-20(10-8-17)34(31,32)28-13-11-18(12-14-28)24(29)27-23(25(30)33-2)15-19-16-26-22-6-4-3-5-21(19)22/h3-10,16,18,23,26H,11-15H2,1-2H3,(H,27,29)/t23-/m1/s1