ethyl 4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-3-29-21(26)23-13-9-18(10-14-23)22-20(25)17-8-7-16(2)19(15-17)30(27,28)24-11-5-4-6-12-24/h7-8,15,18H,3-6,9-14H2,1-2H3,(H,22,25)