[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C21H32N2O5S/c1-16(2)10-11-17(3)22-20(24)15-28-21(25)18-8-7-9-19(14-18)29(26,27)23-12-5-4-6-13-23/h7-9,14,16-17H,4-6,10-13,15H2,1-3H3,(H,22,24)/t17-/m0/s1