benzenesulfonic acid; 4-(5-ethyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine

Systemtic Name: benzenesulfonic acid; 4-(5-ethyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine Openeye Name: benzenesulfonic acid; 4-(5-ethylbenzothiophen-2-yl)-1,2,3,6-tetrahydropyridine CAS Name: benzenesulfonic acid; 4-(5-ethyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine IUPAC Name: benzenesulfonic acid; 4-(5-ethyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine Traditional Name: besylic acid; 4-(5-ethylbenzothiophen-2-yl)-1,2,3,6-tetrahydropyridine Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC(=C2)C3=CCNCC3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)SC(=C2)C3=CCNCC3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H17NS.C6H6O3S/c1-2-11-3-4-14-13(9-11)10-15(17-14)12-5-7-16-8-6-12;7-10(8,9)6-4-2-1-3-5-6/h3-5,9-10,16H,2,6-8H2,1H3;1-5H,(H,7,8,9)