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

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

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Descriptors Computed from Structure

Canonical SMILES:

CON1C2=C(C(=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N(C1=O)C4CCCCCC4

Isomeric SMILES

CON1C2=C(C(=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N(C1=O)C4CCCCCC4

InChI

InChI=1S/C21H22ClN3O6S/c1-31-24-18-12-11-17(22)20(32(29,30)16-10-6-9-15(13-16)25(27)28)19(18)23(21(24)26)14-7-4-2-3-5-8-14/h6,9-14H,2-5,7-8H2,1H3