ethyl 4-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H28ClN3O5S MolecularWeight: 445.96072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCN(C2=C(C=CC(=C2)Cl)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCN(C2=C(C=CC(=C2)Cl)C)S(=O)(=O)C

InChI

InChI=1S/C19H28ClN3O5S/c1-4-28-19(25)22-12-10-21(11-13-22)18(24)6-5-9-23(29(3,26)27)17-14-16(20)8-7-15(17)2/h7-8,14H,4-6,9-13H2,1-3H3