[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone

Systemtic Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone Openeye Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone CAS Name: [4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-(5-methyl-1,2-benzothiazol-3-yl)methanone IUPAC Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone Traditional Name: (5-methyl-1,2-benzothiazol-3-yl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C21H23N3O4S2 MolecularWeight: 445.55502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NSC4=C3C=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NSC4=C3C=C(C=C4)C

InChI

InChI=1S/C21H23N3O4S2/c1-3-28-16-5-7-17(8-6-16)30(26,27)24-12-10-23(11-13-24)21(25)20-18-14-15(2)4-9-19(18)29-22-20/h4-9,14H,3,10-13H2,1-2H3