N-(2-pyrrolidin-1-ium-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C15H23N2O4S+ MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1CC[NH+](C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C15H22N2O4S/c18-22(19,16-6-9-17-7-1-2-8-17)13-4-5-14-15(12-13)21-11-3-10-20-14/h4-5,12,16H,1-3,6-11H2/p+1