[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(6-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=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

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