methyl 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C21H25N3O7S2/c1-14-5-6-16(24(27)28)12-19(14)33(29,30)23-9-7-15(8-10-23)21(26)22-17(13-20(25)31-2)18-4-3-11-32-18/h3-6,11-12,15,17H,7-10,13H2,1-2H3,(H,22,26)