1-[(3,4-dichlorophenyl)carbamoyl-hexyl-amino]ethyl hydrogen sulfate

Systemtic Name: 1-[(3,4-dichlorophenyl)carbamoyl-hexyl-amino]ethyl hydrogen sulfate Openeye Name: 1-[(3,4-dichlorophenyl)carbamoyl-hexyl-amino]ethyl hydrogen sulfate CAS Name: sulfuric acid 1-[[(3,4-dichloroanilino)-oxomethyl]-hexylamino]ethyl ester IUPAC Name: 1-[(3,4-dichlorophenyl)carbamoyl-hexylamino]ethyl hydrogen sulfate Traditional Name: sulfuric acid 1-[(3,4-dichlorophenyl)carbamoyl-hexyl-amino]ethyl ester Formula: C15H22Cl2N2O5S MolecularWeight: 413.31658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)OS(=O)(=O)O)C(=O)NC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCCN(C(C)OS(=O)(=O)O)C(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C15H22Cl2N2O5S/c1-3-4-5-6-9-19(11(2)24-25(21,22)23)15(20)18-12-7-8-13(16)14(17)10-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,20)(H,21,22,23)