1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methyl-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(2-methyl-3-nitro-phenyl)isonipecotamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H20N4O5S/c1-13-16(6-4-7-17(13)24(26)27)21-20(25)14-9-11-23(12-10-14)19-15-5-2-3-8-18(15)30(28,29)22-19/h2-8,14H,9-12H2,1H3,(H,21,25)