4-(1,4-diazepan-1-yl)-N-phenyl-3-(sulfinatoamino)benzenesulfonamide; yttrium(3+)

Systemtic Name: 4-(1,4-diazepan-1-yl)-N-phenyl-3-(sulfinatoamino)benzenesulfonamide; yttrium(3+) Openeye Name: 4-(1,4-diazepan-1-yl)-N-phenyl-3-(sulfinatoamino)benzenesulfonamide; yttrium(3+) CAS Name: 4-(1,4-diazepan-1-yl)-N-phenyl-3-(sulfinatoamino)benzenesulfonamide; yttrium(3+) IUPAC Name: 4-(1,4-diazepan-1-yl)-N-phenyl-3-(sulfinatoamino)benzenesulfonamide; yttrium(3+) Traditional Name: 4-(1,4-diazepan-1-yl)-N-phenyl-3-(sulfinatoamino)benzenesulfonamide; yttrium(3+) Formula: C17H21N4O4S2Y+2 MolecularWeight: 498.40889

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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)N[S-](=O)=O.[Y+3]

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)N[S-](=O)=O.[Y+3]

InChI

InChI=1S/C17H21N4O4S2.Y/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,19,22,23);/q-1;+3