1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]benzotriazole

Systemtic Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]benzotriazole Openeye Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]benzotriazole CAS Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]benzotriazole IUPAC Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]benzotriazole Traditional Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]benzotriazole Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N5O4S/c1-13-9-14(2)12-22(11-13)29(27,28)15-7-8-18(19(10-15)24(25)26)23-17-6-4-3-5-16(17)20-21-23/h3-8,10,13-14H,9,11-12H2,1-2H3/t13-,14-/m1/s1