10-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid

Systemtic Name: 10-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid Openeye Name: 10-(2-methoxy-2-oxo-ethyl)-2-methyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid CAS Name: 10-(2-methoxy-2-oxoethyl)-2-methyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid IUPAC Name: 10-(2-methoxy-2-oxoethyl)-2-methyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid Traditional Name: 1-keto-10-(2-keto-2-methoxy-ethyl)-2-methyl-4,5-dihydro-3H-azepin[3,4-b]indole-7-sulfonic acid Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC(=O)OC

Isomeric SMILES

CN1CCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC(=O)OC

InChI

InChI=1S/C16H18N2O6S/c1-17-7-3-4-11-12-8-10(25(21,22)23)5-6-13(12)18(9-14(19)24-2)15(11)16(17)20/h5-6,8H,3-4,7,9H2,1-2H3,(H,21,22,23)