[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H32N2O5S/c1-16(2)23(17(3)4)20(24)15-28-21(25)18-10-9-11-19(14-18)29(26,27)22-12-7-5-6-8-13-22/h9-11,14,16-17H,5-8,12-13,15H2,1-4H3