1,3-benzothiazol-2-ylmethyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-14-8-10-23(11-9-14)17-7-6-15(12-18(17)24(26)27)21(25)28-13-20-22-16-4-2-3-5-19(16)29-20/h2-7,12,14H,8-11,13H2,1H3