4-[[1-ethyl-2-methyl-3-[(4-nitrophenyl)methyl]-2H-benzimidazol-5-yl]sulfonyl]morpholine

Systemtic Name: 4-[[1-ethyl-2-methyl-3-[(4-nitrophenyl)methyl]-2H-benzimidazol-5-yl]sulfonyl]morpholine Openeye Name: 4-[[1-ethyl-2-methyl-3-[(4-nitrophenyl)methyl]-2H-benzimidazol-5-yl]sulfonyl]morpholine CAS Name: 4-[[1-ethyl-2-methyl-3-[(4-nitrophenyl)methyl]-2H-benzimidazol-5-yl]sulfonyl]morpholine IUPAC Name: 4-[[1-ethyl-2-methyl-3-[(4-nitrophenyl)methyl]-2H-benzimidazol-5-yl]sulfonyl]morpholine Traditional Name: 4-[[1-ethyl-2-methyl-3-(4-nitrobenzyl)-2H-benzimidazol-5-yl]sulfonyl]morpholine Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(N(C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5S/c1-3-23-16(2)24(15-17-4-6-18(7-5-17)25(26)27)21-14-19(8-9-20(21)23)31(28,29)22-10-12-30-13-11-22/h4-9,14,16H,3,10-13,15H2,1-2H3