7-chloranyl-5-methylsulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-[4-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-[4-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-(4-piperidinosulfonylphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H26ClN3O6S2 MolecularWeight: 528.04134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H26ClN3O6S2/c1-33(28,29)26-14-11-21(32-20-10-5-16(23)15-19(20)26)22(27)24-17-6-8-18(9-7-17)34(30,31)25-12-3-2-4-13-25/h5-10,15,21H,2-4,11-14H2,1H3,(H,24,27)