3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methyl-3-piperidinosulfonyl-phenyl)propionamide Formula: C24H31N3O7S2 MolecularWeight: 537.64884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H31N3O7S2/c1-18-6-7-19(16-23(18)36(31,32)27-12-3-2-4-13-27)26-24(28)10-11-25-35(29,30)20-8-9-21-22(17-20)34-15-5-14-33-21/h6-9,16-17,25H,2-5,10-15H2,1H3,(H,26,28)