2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(p-tolylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(tosylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H16NO4S2- MolecularWeight: 350.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

InChI

InChI=1S/C16H17NO4S2/c1-10-6-8-11(9-7-10)23(20,21)17-15-14(16(18)19)12-4-2-3-5-13(12)22-15/h6-9,17H,2-5H2,1H3,(H,18,19)/p-1