[2-(diethylamino)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-3-24(4-2)22(27)18-31-23(28)19-9-8-12-21(17-19)32(29,30)26-15-13-25(14-16-26)20-10-6-5-7-11-20/h5-12,17H,3-4,13-16,18H2,1-2H3