(3-chlorophenyl)-methyl-[(E)-3-oxidanyl-4-oxidanylidene-5-[(4-sulfamoylphenyl)amino]pent-2-en-2-yl]-propoxy-azanium

Systemtic Name: (3-chlorophenyl)-methyl-[(E)-3-oxidanyl-4-oxidanylidene-5-[(4-sulfamoylphenyl)amino]pent-2-en-2-yl]-propoxy-azanium Openeye Name: (3-chlorophenyl)-[(E)-2-hydroxy-1-methyl-3-oxo-4-(4-sulfamoylanilino)but-1-enyl]-methyl-propoxy-ammonium CAS Name: (3-chlorophenyl)-[(E)-3-hydroxy-4-oxo-5-(4-sulfamoylanilino)pent-2-en-2-yl]-methyl-propoxyammonium IUPAC Name: (3-chlorophenyl)-[(E)-3-hydroxy-4-oxo-5-(4-sulfamoylanilino)pent-2-en-2-yl]-methyl-propoxyazanium Traditional Name: (3-chlorophenyl)-[(E)-2-hydroxy-3-keto-1-methyl-4-(4-sulfamoylanilino)but-1-enyl]-methyl-propoxy-ammonium Formula: C21H27ClN3O5S+ MolecularWeight: 468.97418

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Descriptors Computed from Structure

Canonical SMILES:

CCCO[N+](C)(C1=CC(=CC=C1)Cl)C(=C(C(=O)CNC2=CC=C(C=C2)S(=O)(=O)N)O)C

Isomeric SMILES

CCCO[N+](C)(C1=CC(=CC=C1)Cl)/C(=C(\C(=O)CNC2=CC=C(C=C2)S(=O)(=O)N)/O)/C

InChI

InChI=1S/C21H26ClN3O5S/c1-4-12-30-25(3,18-7-5-6-16(22)13-18)15(2)21(27)20(26)14-24-17-8-10-19(11-9-17)31(23,28)29/h5-11,13,24H,4,12,14H2,1-3H3,(H2-,23,27,28,29)/p+1/b21-15+