(2-methylfuran-3-yl)-[4-[(4-methylsulfonyl-2-nitro-phenyl)amino]piperidin-1-yl]methanone

Systemtic Name: (2-methylfuran-3-yl)-[4-[(4-methylsulfonyl-2-nitro-phenyl)amino]piperidin-1-yl]methanone Openeye Name: (2-methyl-3-furyl)-[4-(4-methylsulfonyl-2-nitro-anilino)-1-piperidyl]methanone CAS Name: (2-methyl-3-furanyl)-[4-(4-methylsulfonyl-2-nitroanilino)-1-piperidinyl]methanone IUPAC Name: (2-methylfuran-3-yl)-[4-(4-methylsulfonyl-2-nitroanilino)piperidin-1-yl]methanone Traditional Name: [4-(4-mesyl-2-nitro-anilino)piperidino]-(2-methyl-3-furyl)methanone Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCC(CC2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC(CC2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-12-15(7-10-27-12)18(22)20-8-5-13(6-9-20)19-16-4-3-14(28(2,25)26)11-17(16)21(23)24/h3-4,7,10-11,13,19H,5-6,8-9H2,1-2H3