2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C(=C3)Cl)OCCCO4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C(=C3)Cl)OCCCO4)C(=O)N

InChI

InChI=1S/C21H23ClN2O6S/c22-17-10-14(11-19-20(17)29-9-3-8-28-19)13-30-18-5-4-15(12-16(18)21(23)25)31(26,27)24-6-1-2-7-24/h4-5,10-12H,1-3,6-9,13H2,(H2,23,25)