3-[[3,4-bis(oxidanyl)phenyl]methyl]-1,4,4a,8a-tetrahydronaphthalene-2-sulfonamide

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methyl]-1,4,4a,8a-tetrahydronaphthalene-2-sulfonamide Openeye Name: 3-[(3,4-dihydroxyphenyl)methyl]-1,4,4a,8a-tetrahydronaphthalene-2-sulfonamide CAS Name: 3-[(3,4-dihydroxyphenyl)methyl]-1,4,4a,8a-tetrahydronaphthalene-2-sulfonamide IUPAC Name: 3-[(3,4-dihydroxyphenyl)methyl]-1,4,4a,8a-tetrahydronaphthalene-2-sulfonamide Traditional Name: 3-protocatechuyl-1,4,4a,8a-tetrahydronaphthalene-2-sulfonamide Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC=CC2CC(=C1CC3=CC(=C(C=C3)O)O)S(=O)(=O)N

Isomeric SMILES

C1C2C=CC=CC2CC(=C1CC3=CC(=C(C=C3)O)O)S(=O)(=O)N

InChI

InChI=1S/C17H19NO4S/c18-23(21,22)17-10-13-4-2-1-3-12(13)9-14(17)7-11-5-6-15(19)16(20)8-11/h1-6,8,12-13,19-20H,7,9-10H2,(H2,18,21,22)