ethyl 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboxylate

Systemtic Name: ethyl 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboxylate Openeye Name: ethyl 3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-(4-tosyl-1,4-diazepane-1-carbonyl)piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCCC(C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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