[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H26N2O7S/c1-15-6-7-17(12-21(15)33(28,29)25-10-4-3-5-11-25)23(27)32-16(2)22(26)24-18-8-9-19-20(13-18)31-14-30-19/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3,(H,24,26)