2-(octan-2-ylamino)ethyl 4-azanylbenzoate; sulfamic acid

Systemtic Name: 2-(octan-2-ylamino)ethyl 4-azanylbenzoate; sulfamic acid Openeye Name: 2-(1-methylheptylamino)ethyl 4-aminobenzoate; sulfamic acid CAS Name: 4-aminobenzoic acid 2-(octan-2-ylamino)ethyl ester; sulfamic acid IUPAC Name: 2-(octan-2-ylamino)ethyl 4-aminobenzoate; sulfamic acid Traditional Name: 4-aminobenzoic acid 2-(1-methylheptylamino)ethyl ester; sulfamic acid Formula: C17H31N3O5S MolecularWeight: 389.51014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N.NS(=O)(=O)O

Isomeric SMILES

CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N.NS(=O)(=O)O

InChI

InChI=1S/C17H28N2O2.H3NO3S/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;1-5(2,3)4/h8-11,14,19H,3-7,12-13,18H2,1-2H3;(H3,1,2,3,4)