7-methoxy-8-oxidanyl-2-(phenylmethyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-4-sulfinic acid

Systemtic Name: 7-methoxy-8-oxidanyl-2-(phenylmethyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-4-sulfinic acid Openeye Name: 2-benzylsulfonyl-8-hydroxy-7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-4-sulfinic acid CAS Name: 8-hydroxy-7-methoxy-2-(phenylmethyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-4-sulfinic acid IUPAC Name: 2-benzylsulfonyl-8-hydroxy-7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-4-sulfinic acid Traditional Name: 2-benzylsulfonyl-8-hydroxy-7-methoxy-1,3,4,5-tetrahydropyrid[4,3-b]indole-4-sulfinic acid Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3=C(C(CN(C3)S(=O)(=O)CC4=CC=CC=C4)S(=O)O)NC2=C1)O

Isomeric SMILES

COC1=C(C=C2C3=C(C(CN(C3)S(=O)(=O)CC4=CC=CC=C4)S(=O)O)NC2=C1)O

InChI

InChI=1S/C19H20N2O6S2/c1-27-17-8-15-13(7-16(17)22)14-9-21(10-18(28(23)24)19(14)20-15)29(25,26)11-12-5-3-2-4-6-12/h2-8,18,20,22H,9-11H2,1H3,(H,23,24)