3-pyridin-3-ylpropyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: 3-pyridin-3-ylpropyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: 3-(3-pyridyl)propyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid 3-(3-pyridyl)propyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17-10-13-23(14-11-17)28(25,26)20-8-6-19(7-9-20)21(24)27-15-3-5-18-4-2-12-22-16-18/h2,4,6-9,12,16-17H,3,5,10-11,13-15H2,1H3