1-cyanoethyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 1-cyanoethyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 1-cyanoethyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid 1-cyanoethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C#N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-17(15-22)28-21(25)19-8-5-9-20(14-19)29(26,27)24-12-10-23(11-13-24)16-18-6-3-2-4-7-18/h2-9,14,17H,10-13,16H2,1H3