(2-cyanophenyl)methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-cyanophenyl)methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-cyanophenyl)methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (2-cyanobenzyl) ester Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C25H22ClN3O4S/c26-24-11-10-22(16-23(24)25(30)33-18-20-7-5-4-6-19(20)17-27)34(31,32)29-14-12-28(13-15-29)21-8-2-1-3-9-21/h1-11,16H,12-15,18H2