ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-methylanilino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O5S/c1-3-30-22(27)24-14-10-18(11-15-24)21(26)23-19-9-8-17(2)20(16-19)31(28,29)25-12-6-4-5-7-13-25/h8-9,16,18H,3-7,10-15H2,1-2H3,(H,23,26)