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

Systemtic Name: 3-cyanopropyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 3-cyanopropyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid 3-cyanopropyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCCCC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCCCC#N

InChI

InChI=1S/C22H25N3O4S/c23-11-4-5-16-29-22(26)20-9-6-10-21(17-20)30(27,28)25-14-12-24(13-15-25)18-19-7-2-1-3-8-19/h1-3,6-10,17H,4-5,12-16,18H2