ethyl 4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-cyanophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-cyanobenzyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-2-28-21(25)19-6-8-20(9-7-19)29(26,27)24-12-10-23(11-13-24)16-18-5-3-4-17(14-18)15-22/h3-9,14H,2,10-13,16H2,1H3