[4-[(E)-2-nitroethenyl]phenyl] 4-(2-azanylethylcarbamoyl)benzenesulfonate

Systemtic Name: [4-[(E)-2-nitroethenyl]phenyl] 4-(2-azanylethylcarbamoyl)benzenesulfonate Openeye Name: [4-[(E)-2-nitrovinyl]phenyl] 4-(2-aminoethylcarbamoyl)benzenesulfonate CAS Name: 4-[(2-aminoethylamino)-oxomethyl]benzenesulfonic acid [4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-nitroethenyl]phenyl] 4-(2-aminoethylcarbamoyl)benzenesulfonate Traditional Name: 4-(2-aminoethylcarbamoyl)benzenesulfonic acid [4-[(E)-2-nitrovinyl]phenyl] ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C[N+](=O)[O-])OS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN

Isomeric SMILES

C1=CC(=CC=C1/C=C/[N+](=O)[O-])OS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN

InChI

InChI=1S/C17H17N3O6S/c18-10-11-19-17(21)14-3-7-16(8-4-14)27(24,25)26-15-5-1-13(2-6-15)9-12-20(22)23/h1-9,12H,10-11,18H2,(H,19,21)/b12-9+