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

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylnipecotoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C24H26FN3O5S MolecularWeight: 487.543743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O5S/c1-33-24(30)22(13-17-14-26-21-7-3-2-6-20(17)21)27-23(29)16-5-4-12-28(15-16)34(31,32)19-10-8-18(25)9-11-19/h2-3,6-11,14,16,22,26H,4-5,12-13,15H2,1H3,(H,27,29)