ethyl 4-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-methyl-5-(4-methylpiperidino)sulfonyl-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C

InChI

InChI=1S/C21H31N3O5S/c1-4-29-21(26)23-13-11-22(12-14-23)20(25)19-15-18(6-5-17(19)3)30(27,28)24-9-7-16(2)8-10-24/h5-6,15-16H,4,7-14H2,1-3H3