ethyl 1-[4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[(6-mesyl-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylnipecotic acid ethyl ester Formula: C24H27N3O7S3 MolecularWeight: 565.68208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C24H27N3O7S3/c1-4-34-23(29)17-6-5-13-27(15-17)37(32,33)18-9-7-16(8-10-18)22(28)25-24-26(2)20-12-11-19(36(3,30)31)14-21(20)35-24/h7-12,14,17H,4-6,13,15H2,1-3H3