3-cyanopropyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: 3-cyanopropyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: 3-cyanopropyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid 3-cyanopropyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC#N

InChI

InChI=1S/C17H22N2O4S/c1-14-8-11-19(12-9-14)24(21,22)16-6-4-15(5-7-16)17(20)23-13-3-2-10-18/h4-7,14H,2-3,8-9,11-13H2,1H3