N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(1-pyrrolidinylsulfonyl)anilino]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyrrolidinosulfonylanilino)acetamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c25-21(23-17-6-9-19-20(14-17)29-13-3-12-28-19)15-22-16-4-7-18(8-5-16)30(26,27)24-10-1-2-11-24/h4-9,14,22H,1-3,10-13,15H2,(H,23,25)