ethyl 4-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H27ClN4O8S MolecularWeight: 555.00048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O8S/c1-4-36-23(30)26-11-9-25(10-12-26)22(29)15-27(20-13-17(24)6-8-21(20)35-3)37(33,34)18-7-5-16(2)19(14-18)28(31)32/h5-8,13-14H,4,9-12,15H2,1-3H3