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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C22H26N2O6S/c1-15(25)23-18-14-17(7-9-20(18)28-2)31(26,27)24-10-3-5-19(24)16-6-8-21-22(13-16)30-12-4-11-29-21/h6-9,13-14,19H,3-5,10-12H2,1-2H3,(H,23,25)/t19-/m0/s1