1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylethyl]benzimidazole

Systemtic Name: 1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylethyl]benzimidazole Openeye Name: 1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylethyl]benzimidazole CAS Name: 1-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]ethyl]benzimidazole IUPAC Name: 1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylethyl]benzimidazole Traditional Name: 1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonylethyl]benzimidazole Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CCN2C=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CCN2C=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H25N3O4S/c26-30(27,14-11-24-16-23-18-5-1-2-6-20(18)24)25-10-3-7-19(25)17-8-9-21-22(15-17)29-13-4-12-28-21/h1-2,5-6,8-9,15-16,19H,3-4,7,10-14H2