N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-mesyl-2-methyl-benzamide Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H20ClNO5S/c1-12-4-5-14(27(2,23)24)10-15(12)19(22)21-11-13-8-16(20)18-17(9-13)25-6-3-7-26-18/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,21,22)