N-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-4-methoxy-phenyl]ethanamide

Systemtic Name: N-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-4-methoxy-phenyl]ethanamide Openeye Name: N-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-4-methoxy-phenyl]acetamide CAS Name: N-[3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]-4-methoxyphenyl]acetamide IUPAC Name: N-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-4-methoxyphenyl]acetamide Traditional Name: N-[3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonyl-4-methoxy-phenyl]acetamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O6S/c1-15(25)23-17-7-9-20(28-2)22(14-17)31(26,27)24-10-3-5-18(24)16-6-8-19-21(13-16)30-12-4-11-29-19/h6-9,13-14,18H,3-5,10-12H2,1-2H3,(H,23,25)