2-[1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidin-2-yl]ethyl 3-methyl-4-nitro-benzoate

Systemtic Name: 2-[1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidin-2-yl]ethyl 3-methyl-4-nitro-benzoate Openeye Name: 2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidyl]ethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidinyl]ethyl ester IUPAC Name: 2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-2-yl]ethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 2-[1-(1,1-diketo-1,2-benzothiazol-3-yl)-2-piperidyl]ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCCC2CCCCN2C3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCCC2CCCCN2C3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S/c1-15-14-16(9-10-19(15)25(27)28)22(26)31-13-11-17-6-4-5-12-24(17)21-18-7-2-3-8-20(18)32(29,30)23-21/h2-3,7-10,14,17H,4-6,11-13H2,1H3