N-(2-azanylethyl)-6-oxidanylidene-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide

Systemtic Name: N-(2-azanylethyl)-6-oxidanylidene-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide Openeye Name: N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide CAS Name: N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide IUPAC Name: N-(2-aminoethyl)-6-oxo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide Traditional Name: N-(2-aminoethyl)-6-keto-5,11-dihydropyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC3=C(C=C(C=C3)S(=O)(=O)NCCN)C(=O)N2)N=C1

Isomeric SMILES

C1=CC2=C(NC3=C(C=C(C=C3)S(=O)(=O)NCCN)C(=O)N2)N=C1

InChI

InChI=1S/C14H15N5O3S/c15-5-7-17-23(21,22)9-3-4-11-10(8-9)14(20)19-12-2-1-6-16-13(12)18-11/h1-4,6,8,17H,5,7,15H2,(H,16,18)(H,19,20)