[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C21H31ClN2O5S MolecularWeight: 458.99924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(C(C)C)C(C)C)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(C(C)C)C(C)C)Cl

InChI

InChI=1S/C21H31ClN2O5S/c1-14(2)24(15(3)4)20(25)13-29-21(26)17-8-9-18(22)19(11-17)30(27,28)23-10-6-7-16(5)12-23/h8-9,11,14-16H,6-7,10,12-13H2,1-5H3