N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide CAS Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]-N-methyl-4-(methylamino)-3-nitro-benzenesulfonamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-12-7-13(2)10-20(9-12)17(22)11-19(4)27(25,26)14-5-6-15(18-3)16(8-14)21(23)24/h5-6,8,12-13,18H,7,9-11H2,1-4H3/t12-,13-/m1/s1