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4-azanyl-2-(2-diethylaminoethyl)benzoate; N-cyclohexylsulfamate

4-azanyl-2-(2-diethylaminoethyl)benzoate; N-cyclohexylsulfamate

Systemtic Name:4-azanyl-2-(2-diethylaminoethyl)benzoate; N-cyclohexylsulfamate
Openeye Name:4-amino-2-(2-diethylaminoethyl)benzoate; N-cyclohexylsulfamate
CAS Name:4-amino-2-(2-diethylaminoethyl)benzoate; N-cyclohexylsulfamate
IUPAC Name:4-amino-2-(2-diethylaminoethyl)benzoate; N-cyclohexylsulfamate
Traditional Name:4-amino-2-(2-diethylaminoethyl)benzoate; N-cyclohexylsulfamate
Formula: C19H31N3O5S-2
MolecularWeight: 413.53154
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C=CC(=C1)N)C(=O)[O-].C1CCC(CC1)NS(=O)(=O)[O-]


Isomeric SMILES

CCN(CC)CCC1=C(C=CC(=C1)N)C(=O)[O-].C1CCC(CC1)NS(=O)(=O)[O-]


InChI

InChI=1S/C13H20N2O2.C6H13NO3S/c1-3-15(4-2)8-7-10-9-11(14)5-6-12(10)13(16)17;8-11(9,10)7-6-4-2-1-3-5-6/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,16,17);6-7H,1-5H2,(H,8,9,10)/p-2


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