benzenesulfonic acid; (3S)-4-[4-(2-ethylimidazol-1-yl)-6-methyl-5-nitro-pyrimidin-2-yl]-3-methyl-morpholine

Systemtic Name: benzenesulfonic acid; (3S)-4-[4-(2-ethylimidazol-1-yl)-6-methyl-5-nitro-pyrimidin-2-yl]-3-methyl-morpholine Openeye Name: benzenesulfonic acid; (3S)-4-[4-(2-ethylimidazol-1-yl)-6-methyl-5-nitro-pyrimidin-2-yl]-3-methyl-morpholine CAS Name: benzenesulfonic acid; (3S)-4-[4-(2-ethyl-1-imidazolyl)-6-methyl-5-nitro-2-pyrimidinyl]-3-methylmorpholine IUPAC Name: benzenesulfonic acid; (3S)-4-[4-(2-ethylimidazol-1-yl)-6-methyl-5-nitropyrimidin-2-yl]-3-methylmorpholine Traditional Name: besylic acid; (3S)-4-[4-(2-ethylimidazol-1-yl)-6-methyl-5-nitro-pyrimidin-2-yl]-3-methyl-morpholine Formula: C21H26N6O6S MolecularWeight: 490.53274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1C2=NC(=NC(=C2[N+](=O)[O-])C)N3CCOCC3C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=NC=CN1C2=NC(=NC(=C2[N+](=O)[O-])C)N3CCOC[C@@H]3C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H20N6O3.C6H6O3S/c1-4-12-16-5-6-20(12)14-13(21(22)23)11(3)17-15(18-14)19-7-8-24-9-10(19)2;7-10(8,9)6-4-2-1-3-5-6/h5-6,10H,4,7-9H2,1-3H3;1-5H,(H,7,8,9)/t10-;/m0./s1