[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C28H27N3O5S2 MolecularWeight: 549.66108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C28H27N3O5S2/c1-19-13-14-20(17-25(19)38(34,35)31-15-7-2-8-16-31)29-26(32)18-36-28(33)22-10-4-3-9-21(22)27-30-23-11-5-6-12-24(23)37-27/h3-6,9-14,17H,2,7-8,15-16,18H2,1H3,(H,29,32)