3-pyridin-4-ylpropyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-pyridin-4-ylpropyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-(4-pyridyl)propyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid 3-pyridin-4-ylpropyl ester IUPAC Name: 3-pyridin-4-ylpropyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid 3-(4-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)C(=O)OCCCC2=CC=NC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCC2=CC=NC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-17-7-8-19(16-20(17)28(25,26)23-13-3-2-4-14-23)21(24)27-15-5-6-18-9-11-22-12-10-18/h7-12,16H,2-6,13-15H2,1H3