[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-17(21(25)23-16-18-9-4-2-5-10-18)29-22(26)19-11-8-12-20(15-19)30(27,28)24-13-6-3-7-14-24/h2,4-5,8-12,15,17H,3,6-7,13-14,16H2,1H3,(H,23,25)