ethyl 4-[4-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(dibenzylamino)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[bis(phenylmethyl)amino]-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(dibenzylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(dibenzylamino)-2-keto-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C29H33N3O5S MolecularWeight: 535.65442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O5S/c1-2-37-29(34)26-13-15-27(16-14-26)38(35,36)32-19-17-30(18-20-32)23-28(33)31(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25/h3-16H,2,17-23H2,1H3