ethyl 4-[4-[(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H23N5O7S2 MolecularWeight: 533.57732

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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(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O7S2/c1-3-34-22(29)25-10-12-26(13-11-25)36(32,33)17-7-4-15(5-8-17)20(28)23-21-24(2)18-14-16(27(30)31)6-9-19(18)35-21/h4-9,14H,3,10-13H2,1-2H3