2-[[2-(2-dimethylaminoethylsulfanyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Systemtic Name: 2-[[2-(2-dimethylaminoethylsulfanyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid Openeye Name: 6-[[2-(2-dimethylaminoethylsulfanyl)phenyl]sulfonylamino]tetralin-5-carboxylic acid CAS Name: 2-[[2-(2-dimethylaminoethylthio)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid IUPAC Name: 2-[[2-(2-dimethylaminoethylsulfanyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid Traditional Name: 6-[[2-(2-dimethylaminoethylthio)phenyl]sulfonylamino]tetralin-5-carboxylic acid Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=CC=C1S(=O)(=O)NC2=C(C3=C(CCCC3)C=C2)C(=O)O

Isomeric SMILES

CN(C)CCSC1=CC=CC=C1S(=O)(=O)NC2=C(C3=C(CCCC3)C=C2)C(=O)O

InChI

InChI=1S/C21H26N2O4S2/c1-23(2)13-14-28-18-9-5-6-10-19(18)29(26,27)22-17-12-11-15-7-3-4-8-16(15)20(17)21(24)25/h5-6,9-12,22H,3-4,7-8,13-14H2,1-2H3,(H,24,25)