benzenesulfonic acid; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Systemtic Name: benzenesulfonic acid; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Openeye Name: benzenesulfonic acid; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine CAS Name: benzenesulfonic acid; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine IUPAC Name: benzenesulfonic acid; (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Traditional Name: [(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propyl-amine; besylic acid Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCC2=C(C1)SC(=N2)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCN[C@H]1CCC2=C(C1)SC(=N2)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H17N3S.C6H6O3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;7-10(8,9)6-4-2-1-3-5-6/h7,12H,2-6H2,1H3,(H2,11,13);1-5H,(H,7,8,9)/t7-;/m0./s1