4-[[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]carbamoyl]benzenesulfonic acid Openeye Name: 4-[[(E)-indan-5-ylmethyleneamino]carbamoyl]benzenesulfonic acid CAS Name: 4-[[(2E)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)hydrazinyl]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]carbamoyl]benzenesulfonic acid Traditional Name: 4-[[(E)-indan-5-ylmethyleneamino]carbamoyl]besylic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H16N2O4S/c20-17(14-6-8-16(9-7-14)24(21,22)23)19-18-11-12-4-5-13-2-1-3-15(13)10-12/h4-11H,1-3H2,(H,19,20)(H,21,22,23)/b18-11+