methyl 3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(3-piperidinosulfonylbenzoyl)amino]propionic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H27N3O5S/c1-32-24(29)22(15-18-16-25-21-11-4-3-10-20(18)21)26-23(28)17-8-7-9-19(14-17)33(30,31)27-12-5-2-6-13-27/h3-4,7-11,14,16,22,25H,2,5-6,12-13,15H2,1H3,(H,26,28)