(4-aminocarbonyl-2-nitro-phenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c1-14-8-10-23(11-9-14)32(29,30)18-6-4-15(5-7-18)21(26)31-13-17-3-2-16(20(22)25)12-19(17)24(27)28/h2-7,12,14H,8-11,13H2,1H3,(H2,22,25)