[(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1S)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [(1S)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O6S/c1-15(21(27)24-18-9-5-16(6-10-18)20(23)26)31-22(28)17-7-11-19(12-8-17)32(29,30)25-13-3-2-4-14-25/h5-12,15H,2-4,13-14H2,1H3,(H2,23,26)(H,24,27)/t15-/m0/s1