N-[(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-1-methyl-ethyl]-4-methyl-benzenesulfonamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N2O5S/c1-16-6-9-19(10-7-16)31(27,28)24-17(2)23(26)25-12-3-5-20(25)18-8-11-21-22(15-18)30-14-4-13-29-21/h6-11,15,17,20,24H,3-5,12-14H2,1-2H3/t17-,20?/m0/s1