[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H27NO7S/c1-14-2-4-15(5-3-14)21-19(22)13-28-20(23)8-11-29(24,25)16-6-7-17-18(12-16)27-10-9-26-17/h6-7,12,14-15H,2-5,8-11,13H2,1H3,(H,21,22)