2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27ClN2O6S/c1-2-30-19-7-6-17(15-21(19)33(28,29)26-8-3-4-9-26)25-22(27)14-16-12-18(24)23-20(13-16)31-10-5-11-32-23/h6-7,12-13,15H,2-5,8-11,14H2,1H3,(H,25,27)