(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H24ClNO5S2 MolecularWeight: 470.00196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC(=O)C3=CC=CS3)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C21H24ClNO5S2/c1-15-5-2-10-23(14-15)30(26,27)20-13-16(8-9-17(20)22)21(25)28-11-3-6-18(24)19-7-4-12-29-19/h4,7-9,12-13,15H,2-3,5-6,10-11,14H2,1H3