N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(N1C)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H20N2O4S/c1-12-4-5-13(18(12)2)11-17-23(19,20)14-6-7-15-16(10-14)22-9-3-8-21-15/h4-7,10,17H,3,8-9,11H2,1-2H3