7-chloranyl-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[3-[(3-chlorophenyl)methylthio]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-N-[3-[(3-chlorobenzyl)thio]propyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H24Cl2N2O4S2 MolecularWeight: 503.46226

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NCCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24Cl2N2O4S2/c1-31(27,28)25-10-8-20(29-19-7-6-17(23)13-18(19)25)21(26)24-9-3-11-30-14-15-4-2-5-16(22)12-15/h2,4-7,12-13,20H,3,8-11,14H2,1H3,(H,24,26)