1-[4-(phenylsulfamoyl)-2-(sulfinatoamino)phenyl]-1,4-diazepane

Systemtic Name: 1-[4-(phenylsulfamoyl)-2-(sulfinatoamino)phenyl]-1,4-diazepane Openeye Name: 1-[4-(phenylsulfamoyl)-2-(sulfinatoamino)phenyl]-1,4-diazepane CAS Name: 1-[4-(phenylsulfamoyl)-2-(sulfinatoamino)phenyl]-1,4-diazepane IUPAC Name: 1-[4-(phenylsulfamoyl)-2-(sulfinatoamino)phenyl]-1,4-diazepane Traditional Name: 1-[4-(phenylsulfamoyl)-2-(sulfinatoamino)phenyl]-1,4-diazepane Formula: C17H21N4O4S2- MolecularWeight: 409.50304

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)NS(=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)NS(=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c22-26(23)19-16-13-15(27(24,25)20-14-5-2-1-3-6-14)7-8-17(16)21-11-4-9-18-10-12-21/h1-3,5-8,13,18-20H,4,9-12H2,(H,22,23)/p-1