ethyl 4-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-methyl-5-(1-piperidinylsulfonyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(2-methyl-5-piperidinosulfonyl-phenyl)carbamoyl]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)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

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