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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O6S/c1-27-18-7-5-15(13-20(18)30(25,26)23-9-2-3-10-23)21(24)22-16-6-8-17-19(14-16)29-12-4-11-28-17/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,24)