N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-[4-(4-mesylpiperazino)phenyl]amine Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H20N4O4S2/c1-27(23,24)22-12-10-21(11-13-22)15-8-6-14(7-9-15)19-18-16-4-2-3-5-17(16)28(25,26)20-18/h2-9H,10-13H2,1H3,(H,19,20)