1-cyano-3-[[phenylsulfonyl-[[4-(sulfinatoamino)phenyl]methyl]amino]carbamoylamino]benzene

Systemtic Name: 1-cyano-3-[[phenylsulfonyl-[[4-(sulfinatoamino)phenyl]methyl]amino]carbamoylamino]benzene Openeye Name: 1-[[benzenesulfonyl-[[4-(sulfinatoamino)phenyl]methyl]amino]carbamoylamino]-3-cyano-benzene CAS Name: 1-[[[2-(benzenesulfonyl)-2-[[4-(sulfinatoamino)phenyl]methyl]hydrazinyl]-oxomethyl]amino]-3-cyanobenzene IUPAC Name: 1-[[benzenesulfonyl-[[4-(sulfinatoamino)phenyl]methyl]amino]carbamoylamino]-3-cyanobenzene Traditional Name: 1-[[besyl-[4-(sulfinatoamino)benzyl]amino]carbamoylamino]-3-cyano-benzene Formula: C21H18N5O5S2- MolecularWeight: 484.52812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)NS(=O)[O-])NC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)NS(=O)[O-])NC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H19N5O5S2/c22-14-17-5-4-6-19(13-17)23-21(27)24-26(33(30,31)20-7-2-1-3-8-20)15-16-9-11-18(12-10-16)25-32(28)29/h1-13,25H,15H2,(H,28,29)(H2,23,24,27)/p-1