(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O6S/c1-27-16-6-8-17(9-7-16)30(25,26)23-11-2-4-18(23)21(24)22-15-5-10-19-20(14-15)29-13-3-12-28-19/h5-10,14,18H,2-4,11-13H2,1H3,(H,22,24)/t18-/m0/s1