methyl 3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C21H25N3O5S/c1-14-5-7-23(8-6-14)18(19-4-3-9-30-19)13-22-20(25)15-10-16(21(26)29-2)12-17(11-15)24(27)28/h3-4,9-12,14,18H,5-8,13H2,1-2H3,(H,22,25)