[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H31N3O6S/c1-15(2)24(16(3)4)20(26)14-30-21(27)18-6-8-19(9-7-18)31(28,29)23-12-10-22(11-13-23)17(5)25/h6-9,15-16H,10-14H2,1-5H3