N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(1-pyrrolidinylsulfonyl)-2-pyridinamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-pyrrolidinosulfonyl-2-pyridyl)amine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H21N3O4S/c22-26(23,21-8-1-2-9-21)15-5-7-18(19-13-15)20-14-4-6-16-17(12-14)25-11-3-10-24-16/h4-7,12-13H,1-3,8-11H2,(H,19,20)