ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H30ClN3O5S MolecularWeight: 471.998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30ClN3O5S/c1-2-30-21(27)24-13-9-17(10-14-24)23-20(26)16-7-8-18(22)19(15-16)31(28,29)25-11-5-3-4-6-12-25/h7-8,15,17H,2-6,9-14H2,1H3,(H,23,26)