ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-[(4-methyl-1-piperidyl)sulfonyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(4-methyl-1-piperidinyl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-methylpiperidino)sulfonylnipecotoyl]amino]benzoic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H31N3O5S/c1-3-29-21(26)17-6-8-19(9-7-17)22-20(25)18-5-4-12-24(15-18)30(27,28)23-13-10-16(2)11-14-23/h6-9,16,18H,3-5,10-15H2,1-2H3,(H,22,25)