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

Systemtic Name: [(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [(1S)-2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-16-8-4-5-9-20(16)23-21(25)17(2)29-22(26)18-10-12-19(13-11-18)30(27,28)24-14-6-3-7-15-24/h4-5,8-13,17H,3,6-7,14-15H2,1-2H3,(H,23,25)/t17-/m0/s1