N-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-N-methyl-thiophene-2-sulfonamide

Systemtic Name: N-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-N-methyl-thiophene-2-sulfonamide Openeye Name: N-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxo-butyl]-N-methyl-thiophene-2-sulfonamide CAS Name: N-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-oxobutyl]-N-methyl-2-thiophenesulfonamide IUPAC Name: N-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide Traditional Name: N-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-keto-butyl]-N-methyl-thiophene-2-sulfonamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCCC1C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CCCC(=O)N1CCC[C@H]1C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N2O5S2/c1-23(31(26,27)22-8-4-15-30-22)11-3-7-21(25)24-12-2-6-18(24)17-9-10-19-20(16-17)29-14-5-13-28-19/h4,8-10,15-16,18H,2-3,5-7,11-14H2,1H3/t18-/m0/s1