5-chloranyl-3-cycloheptyl-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one

Systemtic Name: 5-chloranyl-3-cycloheptyl-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one Openeye Name: 5-chloro-3-cycloheptyl-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one CAS Name: 5-chloro-3-cycloheptyl-1-(2-methoxy-4-nitrophenyl)sulfonyl-2-benzimidazolone IUPAC Name: 5-chloro-3-cycloheptyl-1-(2-methoxy-4-nitrophenyl)sulfonylbenzimidazol-2-one Traditional Name: 5-chloro-3-cycloheptyl-1-(2-methoxy-4-nitro-phenyl)sulfonyl-benzimidazol-2-one Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2C3=C(C=C(C=C3)Cl)N(C2=O)C4CCCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2C3=C(C=C(C=C3)Cl)N(C2=O)C4CCCCCC4

InChI

InChI=1S/C21H22ClN3O6S/c1-31-19-13-16(25(27)28)9-11-20(19)32(29,30)24-17-10-8-14(22)12-18(17)23(21(24)26)15-6-4-2-3-5-7-15/h8-13,15H,2-7H2,1H3