2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]-N-methyl-ethanamide

Systemtic Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]-N-methyl-ethanamide Openeye Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-anilino]-N-methyl-acetamide CAS Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitroanilino]-N-methylacetamide IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitroanilino]-N-methylacetamide Traditional Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-anilino]-N-methyl-acetamide Formula: C16H24N4O5S MolecularWeight: 384.45056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(=O)NC)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(=O)NC)[N+](=O)[O-])C

InChI

InChI=1S/C16H24N4O5S/c1-11-6-12(2)10-19(9-11)26(24,25)13-4-5-14(15(7-13)20(22)23)18-8-16(21)17-3/h4-5,7,11-12,18H,6,8-10H2,1-3H3,(H,17,21)/t11-,12-/m1/s1