N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]sulfonyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]sulfonyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]sulfonylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-(2-thienyl)pyrrolidino]sulfonyl-benzamide Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CS5

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CS5

InChI

InChI=1S/C24H24N2O5S2/c27-24(25-18-9-10-21-22(16-18)31-13-4-12-30-21)17-5-1-6-19(15-17)33(28,29)26-11-2-7-20(26)23-8-3-14-32-23/h1,3,5-6,8-10,14-16,20H,2,4,7,11-13H2,(H,25,27)/t20-/m0/s1