azanyl 2-[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonyl-1-methyl-piperidine-4-carboxylate

Systemtic Name: azanyl 2-[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonyl-1-methyl-piperidine-4-carboxylate Openeye Name: amino 2-[(1,4-dichloro-7-isoquinolyl)sulfonyl]-1-methyl-piperidine-4-carboxylate CAS Name: 2-[(1,4-dichloro-7-isoquinolinyl)sulfonyl]-1-methyl-4-piperidinecarboxylic acid amino ester IUPAC Name: amino 2-(1,4-dichloroisoquinolin-7-yl)sulfonyl-1-methylpiperidine-4-carboxylate Traditional Name: 2-[(1,4-dichloro-7-isoquinolyl)sulfonyl]-1-methyl-isonipecotic acid amino ester Formula: C16H17Cl2N3O4S MolecularWeight: 418.29488

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl)C(=O)ON

Isomeric SMILES

CN1CCC(CC1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl)C(=O)ON

InChI

InChI=1S/C16H17Cl2N3O4S/c1-21-5-4-9(16(22)25-19)6-14(21)26(23,24)10-2-3-11-12(7-10)15(18)20-8-13(11)17/h2-3,7-9,14H,4-6,19H2,1H3