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

Systemtic Name: 2-[4-(2-phenylsulfanylethanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(2-phenylsulfanylacetyl)amino]-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]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(2-phenylsulfanylacetyl)amino]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]piperidino]ethyl ester Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S/c1-30-21-14-20(25)19(24)13-18(21)23(29)31-12-11-27-9-7-16(8-10-27)26-22(28)15-32-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12,15,25H2,1H3,(H,26,28)