N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O5S/c1-15-6-4-7-17(21(24)23-10-2-3-11-23)20(15)22-29(25,26)16-8-9-18-19(14-16)28-13-5-12-27-18/h4,6-9,14,22H,2-3,5,10-13H2,1H3