naphthalen-1-yl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: naphthalen-1-yl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: 1-naphthyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid 1-naphthalenyl ester IUPAC Name: naphthalen-1-yl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid 1-naphthyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H20N2O4S/c26-23(29-20-12-5-8-16-7-1-2-10-18(16)20)17-9-6-14-25(15-17)22-19-11-3-4-13-21(19)30(27,28)24-22/h1-5,7-8,10-13,17H,6,9,14-15H2