2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(4-methylphenyl)amino]ethyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(4-methylphenyl)amino]ethyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methyl-anilino)ethyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)ethyl ester IUPAC Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)ethyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)-4-methyl-anilino)ethyl ester Formula: C28H29N3O6S2 MolecularWeight: 567.67636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)N(CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C28H29N3O6S2/c1-21-9-13-23(14-10-21)31(27-25-7-3-4-8-26(25)38(33,34)29-27)19-20-37-28(32)22-11-15-24(16-12-22)39(35,36)30-17-5-2-6-18-30/h3-4,7-16H,2,5-6,17-20H2,1H3