1-[4-[4-[(1S)-1-azaniumylethyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate

Systemtic Name: 1-[4-[4-[(1S)-1-azaniumylethyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Openeye Name: 1-[4-[4-[(1S)-1-azaniumylethyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate CAS Name: 1-[4-[4-[(1S)-1-ammonioethyl]phenyl]sulfonylimino-1-cyclohexa-2,5-dienylidene]ethanolate IUPAC Name: 1-[4-[4-[(1S)-1-azaniumylethyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Traditional Name: 1-[4-[4-[(1S)-1-ammonioethyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=C(C)[O-])C=C2)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=C(C)[O-])C=C2)[NH3+]

InChI

InChI=1S/C16H18N2O3S/c1-11(17)13-5-9-16(10-6-13)22(20,21)18-15-7-3-14(4-8-15)12(2)19/h3-11,19H,17H2,1-2H3/t11-/m0/s1