[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C29H32N2O8S MolecularWeight: 568.63798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C29H32N2O8S/c1-19-14-23(20(2)31(19)16-22-17-37-25-8-4-5-9-26(25)39-22)24(32)18-38-29(33)21-10-11-27(36-3)28(15-21)40(34,35)30-12-6-7-13-30/h4-5,8-11,14-15,22H,6-7,12-13,16-18H2,1-3H3