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

Systemtic Name: 7-chloranyl-N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C)C

InChI

InChI=1S/C21H25ClN2O4S/c1-13-5-6-16(11-14(13)2)15(3)23-21(25)20-9-10-24(29(4,26)27)18-12-17(22)7-8-19(18)28-20/h5-8,11-12,15,20H,9-10H2,1-4H3,(H,23,25)