N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)N4CCCC4=O

InChI

InChI=1S/C20H21N3O7S/c1-13-10-14(5-6-15(13)22-7-2-4-20(22)24)21-31(27,28)19-12-18-17(11-16(19)23(25)26)29-8-3-9-30-18/h5-6,10-12,21H,2-4,7-9H2,1H3