[2-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-keto-2-[4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]ethyl] ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)COC(=O)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)COC(=O)C

InChI

InChI=1S/C21H31N3O6S/c1-16-5-4-8-24(14-16)31(27,28)18-6-7-20(29-3)19(13-18)22-9-11-23(12-10-22)21(26)15-30-17(2)25/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3