ethyl 4-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H28ClN3O6S MolecularWeight: 461.96012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O6S/c1-4-29-19(25)22-12-10-21(11-13-22)18(24)6-5-9-23(30(3,26)27)15-7-8-17(28-2)16(20)14-15/h7-8,14H,4-6,9-13H2,1-3H3