methyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H29N3O7S3 MolecularWeight: 579.70866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC(=O)OC)C

InChI

InChI=1S/C25H29N3O7S3/c1-16-11-17(2)14-27(13-16)38(33,34)19-7-5-18(6-8-19)24(30)26-25-28(15-23(29)35-3)21-10-9-20(37(4,31)32)12-22(21)36-25/h5-10,12,16-17H,11,13-15H2,1-4H3