ethyl 4-[4-[(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C23H25N5O8S2 MolecularWeight: 563.6033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(C=C(C=C4S3)[N+](=O)[O-])OC)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(C=C(C=C4S3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C23H25N5O8S2/c1-4-36-23(30)26-9-11-27(12-10-26)38(33,34)17-7-5-15(6-8-17)21(29)24-22-25(2)20-18(35-3)13-16(28(31)32)14-19(20)37-22/h5-8,13-14H,4,9-12H2,1-3H3