ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C

InChI

InChI=1S/C25H29N3O7S3/c1-4-35-23(29)16-27-21-13-12-20(37(3,31)32)15-22(21)36-25(27)26-24(30)18-8-10-19(11-9-18)38(33,34)28-14-6-5-7-17(28)2/h8-13,15,17H,4-7,14,16H2,1-3H3