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

Systemtic Name: 1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylethyl]benzotriazole Openeye Name: 1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylethyl]benzotriazole CAS Name: 1-[2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]ethyl]benzotriazole IUPAC Name: 1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylethyl]benzotriazole Traditional Name: 1-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonylethyl]benzotriazole Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CCN2C3=CC=CC=C3N=N2)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CCN2C3=CC=CC=C3N=N2)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H24N4O4S/c26-30(27,14-11-24-19-6-2-1-5-17(19)22-23-24)25-10-3-7-18(25)16-8-9-20-21(15-16)29-13-4-12-28-20/h1-2,5-6,8-9,15,18H,3-4,7,10-14H2