4-[3-(2-methylpropyl)-6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-(2-methylpropyl)-6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3-isobutyl-6-morpholinosulfonyl-1H-benzimidazol-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[3-(2-methylpropyl)-6-(4-morpholinylsulfonyl)-1H-benzimidazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-(2-methylpropyl)-6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-(3-isobutyl-6-morpholinosulfonyl-1H-benzimidazol-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC1=C4C=CC(=O)C=C4

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC1=C4C=CC(=O)C=C4

InChI

InChI=1S/C21H25N3O4S/c1-15(2)14-24-20-8-7-18(29(26,27)23-9-11-28-12-10-23)13-19(20)22-21(24)16-3-5-17(25)6-4-16/h3-8,13,15,22H,9-12,14H2,1-2H3