[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 4-sulfamoylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 4-sulfamoylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [(2S)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H25N3O5S/c1-15(29-21(26)16-5-11-19(12-6-16)30(22,27)28)20(25)23-17-7-9-18(10-8-17)24-13-3-2-4-14-24/h5-12,15H,2-4,13-14H2,1H3,(H,23,25)(H2,22,27,28)/t15-/m0/s1