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

Systemtic Name: ethanesulfonic acid; 2-(octan-2-ylamino)ethyl 4-azanylbenzoate Openeye Name: ethanesulfonic acid; 2-(1-methylheptylamino)ethyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid 2-(octan-2-ylamino)ethyl ester; ethanesulfonic acid IUPAC Name: ethanesulfonic acid; 2-(octan-2-ylamino)ethyl 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 2-(1-methylheptylamino)ethyl ester; esylic acid Formula: C19H34N2O5S MolecularWeight: 402.54866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2.C2H6O3S/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;1-2-6(3,4)5/h8-11,14,19H,3-7,12-13,18H2,1-2H3;2H2,1H3,(H,3,4,5)