[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(4-quinolin-8-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Systemtic Name: [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(4-quinolin-8-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Openeye Name: [(2S,6S)-2,6-dimethyl-1-piperidyl]-[4-(8-quinolylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [(2S,6S)-2,6-dimethyl-1-piperidinyl]-[4-(8-quinolinylsulfonylimino)-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(4-quinolin-8-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Traditional Name: [(2S,6S)-2,6-dimethylpiperidino]-[4-(8-quinolylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C23H24N3O3S- MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=C2C=CC(=NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C=C2)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=C2C=CC(=NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C=C2)[O-])C

InChI

InChI=1S/C23H25N3O3S/c1-16-6-3-7-17(2)26(16)23(27)19-11-13-20(14-12-19)25-30(28,29)21-10-4-8-18-9-5-15-24-22(18)21/h4-5,8-17,27H,3,6-7H2,1-2H3/p-1/t16-,17-/m0/s1