4-methylbenzenesulfonic acid; (phenylmethyl) N-(1-azanylbutyl)carbamate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) N-(1-azanylbutyl)carbamate Openeye Name: benzyl N-(1-aminobutyl)carbamate; 4-methylbenzenesulfonic acid CAS Name: N-(1-aminobutyl)carbamic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl N-(1-aminobutyl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(1-aminobutyl)carbamic acid benzyl ester; tosylic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N)NC(=O)OCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(N)NC(=O)OCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H18N2O2.C7H8O3S/c1-2-6-11(13)14-12(15)16-9-10-7-4-3-5-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7-8,11H,2,6,9,13H2,1H3,(H,14,15);2-5H,1H3,(H,8,9,10)