methyl 3-methyl-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[4-[(3S)-3-methylpiperidino]sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C23H25N3O5S2/c1-15-5-4-12-26(14-15)33(29,30)18-9-6-16(7-10-18)21(27)24-23-25(2)19-11-8-17(22(28)31-3)13-20(19)32-23/h6-11,13,15H,4-5,12,14H2,1-3H3/t15-/m0/s1