[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 4-azanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 4-azanylbenzoate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5S/c21-18-8-6-17(7-9-18)20(25)28-14-19(24)22-10-12-23(13-11-22)29(26,27)15-16-4-2-1-3-5-16/h1-9H,10-15,21H2