methyl 3-[[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2-ethylpiperidino)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H25N3O7S/c1-3-18-6-4-5-11-24(18)33(30,31)20-9-7-17(8-10-20)23-21(26)15-12-16(22(27)32-2)14-19(13-15)25(28)29/h7-10,12-14,18H,3-6,11H2,1-2H3,(H,23,26)