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

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NS(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NS(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C20H23N3O6S/c1-14-11-15(22-7-2-3-8-22)5-6-16(14)21-30(26,27)20-13-19-18(12-17(20)23(24)25)28-9-4-10-29-19/h5-6,11-13,21H,2-4,7-10H2,1H3