N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N2O7S2/c1-2-28-19-8-6-16(14-21(19)32(26,27)23-10-3-4-11-23)22-31(24,25)17-7-9-18-20(15-17)30-13-5-12-29-18/h6-9,14-15,22H,2-5,10-13H2,1H3