2-[1-[2-(methylsulfonylamino)ethyl]piperidin-3-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[1-[2-(methylsulfonylamino)ethyl]piperidin-3-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[1-[2-(methanesulfonamido)ethyl]-3-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[1-[2-(methanesulfonamido)ethyl]-3-piperidinyl]ethyl ester IUPAC Name: 2-[1-[2-(methanesulfonamido)ethyl]piperidin-3-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[1-[2-(methanesulfonamido)ethyl]-3-piperidyl]ethyl ester Formula: C18H28ClN3O5S MolecularWeight: 433.95002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCC2CCCN(C2)CCNS(=O)(=O)C)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCC2CCCN(C2)CCNS(=O)(=O)C)Cl)N

InChI

InChI=1S/C18H28ClN3O5S/c1-26-17-11-16(20)15(19)10-14(17)18(23)27-9-5-13-4-3-7-22(12-13)8-6-21-28(2,24)25/h10-11,13,21H,3-9,12,20H2,1-2H3