3-cyanopropyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: 3-cyanopropyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid 3-cyanopropyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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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)OCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S/c22-20-9-8-18(16-19(20)21(26)29-15-5-4-10-23)30(27,28)25-13-11-24(12-14-25)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,11-15H2