[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C25H31N3O6S2 MolecularWeight: 533.66014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C25H31N3O6S2/c1-5-32-18-15-17(16-19(33-6-2)23(18)34-7-3)24(29)27-11-13-28(14-12-27)25-26-22-20(35-25)9-8-10-21(22)36(4,30)31/h8-10,15-16H,5-7,11-14H2,1-4H3