3-pyridin-3-ylpropyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-pyridin-3-ylpropyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-(3-pyridyl)propyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 3-(3-pyridyl)propyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17-9-10-19(28(25,26)23-12-3-2-4-13-23)15-20(17)21(24)27-14-6-8-18-7-5-11-22-16-18/h5,7,9-11,15-16H,2-4,6,8,12-14H2,1H3