[1-[1-(phenylsulfonyl)pyrrol-3-yl]ethylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [1-[1-(phenylsulfonyl)pyrrol-3-yl]ethylideneamino] 4-methylbenzenesulfonate Openeye Name: [1-[1-(benzenesulfonyl)pyrrol-3-yl]ethylideneamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[1-(benzenesulfonyl)-3-pyrrolyl]ethylideneamino] ester IUPAC Name: [1-[1-(benzenesulfonyl)pyrrol-3-yl]ethylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(1-besylpyrrol-3-yl)ethylideneamino] ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O5S2/c1-15-8-10-19(11-9-15)28(24,25)26-20-16(2)17-12-13-21(14-17)27(22,23)18-6-4-3-5-7-18/h3-14H,1-2H3