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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1S(=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/c1-14-4-2-3-11-23(14)32(29,30)18-9-7-15(8-10-18)21(26)31-13-17-6-5-16(20(22)25)12-19(17)24(27)28/h5-10,12,14H,2-4,11,13H2,1H3,(H2,22,25)