4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-7-chloranyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-7-chloranyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-7-chloro-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-7-chloro-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-7-chloro-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-7-chloro-3,5-dihydro-2H-1,4-benzoxazepine Formula: C19H26ClN3O3S MolecularWeight: 411.94604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)CN2CCOC3=C(C2)C=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)CN2CCOC3=C(C2)C=C(C=C3)Cl

InChI

InChI=1S/C19H26ClN3O3S/c1-3-5-8-23-17(12-21-19(23)27(24,25)4-2)14-22-9-10-26-18-7-6-16(20)11-15(18)13-22/h6-7,11-12H,3-5,8-10,13-14H2,1-2H3