N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[1-(3,4-dimethylphenyl)ethyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N2O4S/c1-14-9-10-17(13-15(14)2)16(3)22-21(24)20-11-12-23(28(4,25)26)18-7-5-6-8-19(18)27-20/h5-10,13,16,20H,11-12H2,1-4H3,(H,22,24)