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

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(4-methoxy-3-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)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)S(=O)(=O)N4CCCCC4

InChI

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