(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C4CCC(=NC(=O)C)CC4OC(=C3)O

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C4CCC(=NC(=O)C)CC4OC(=C3)O

InChI

InChI=1S/C25H30N2O7S/c1-16-5-3-4-12-27(16)35(31,32)21-9-6-18(7-10-21)25(30)33-15-19-13-24(29)34-23-14-20(26-17(2)28)8-11-22(19)23/h6-7,9-10,13,16,23,29H,3-5,8,11-12,14-15H2,1-2H3/t16-,23?/m0/s1