2-[4-[(2-phenylsulfanylethanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[(2-phenylsulfanylethanoylamino)methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[[(2-phenylsulfanylacetyl)amino]methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[[1-oxo-2-(phenylthio)ethyl]amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[[(2-phenylsulfanylacetyl)amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[[[2-(phenylthio)acetyl]amino]methyl]piperidino]ethyl ester Formula: C24H30ClN3O4S MolecularWeight: 492.0307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CSC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)CSC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C24H30ClN3O4S/c1-31-22-14-21(26)20(25)13-19(22)24(30)32-12-11-28-9-7-17(8-10-28)15-27-23(29)16-33-18-5-3-2-4-6-18/h2-6,13-14,17H,7-12,15-16,26H2,1H3,(H,27,29)