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

Systemtic Name: [(2S)-1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl] ethanoate Openeye Name: [(1S)-2-[4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl] acetate CAS Name: acetic acid [(2S)-1-[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]-1-oxopropan-2-yl] acetate Traditional Name: acetic acid [(1S)-2-keto-2-[4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]-1-methyl-ethyl] ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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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)C(C)OC(=O)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)[C@H](C)OC(=O)C

InChI

InChI=1S/C22H33N3O6S/c1-16-6-5-9-25(15-16)32(28,29)19-7-8-21(30-4)20(14-19)23-10-12-24(13-11-23)22(27)17(2)31-18(3)26/h7-8,14,16-17H,5-6,9-13,15H2,1-4H3/t16?,17-/m0/s1