N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(2-methoxy-5-piperidinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C23H29N3O7S2 MolecularWeight: 523.62226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O7S2/c1-32-20-11-10-17(35(30,31)25-13-6-3-7-14-25)16-18(20)24-23(27)22-12-15-26(34(2,28)29)19-8-4-5-9-21(19)33-22/h4-5,8-11,16,22H,3,6-7,12-15H2,1-2H3,(H,24,27)