[4-chloranyl-6-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonylimino]cyclohexa-2,4-dien-1-ylidene]-piperidin-1-yl-methanolate

Systemtic Name: [4-chloranyl-6-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonylimino]cyclohexa-2,4-dien-1-ylidene]-piperidin-1-yl-methanolate Openeye Name: [4-chloro-6-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonylimino]cyclohexa-2,4-dien-1-ylidene]-(1-piperidyl)methanolate CAS Name: [4-chloro-6-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonylimino]-1-cyclohexa-2,4-dienylidene]-(1-piperidinyl)methanolate IUPAC Name: [4-chloro-6-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonylimino]cyclohexa-2,4-dien-1-ylidene]-piperidin-1-ylmethanolate Traditional Name: [6-[(4-carbethoxy-1H-pyrazol-5-yl)sulfonylimino]-4-chloro-cyclohexa-2,4-dien-1-ylidene]-piperidino-methanolate Formula: C18H20ClN4O5S- MolecularWeight: 439.8932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N=C2C=C(C=CC2=C(N3CCCCC3)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N=C2C=C(C=CC2=C(N3CCCCC3)[O-])Cl

InChI

InChI=1S/C18H21ClN4O5S/c1-2-28-18(25)14-11-20-21-16(14)29(26,27)22-15-10-12(19)6-7-13(15)17(24)23-8-4-3-5-9-23/h6-7,10-11,24H,2-5,8-9H2,1H3,(H,20,21)/p-1