[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone Openeye Name: (3-isopropylsulfonylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfonylphenyl)methanone Traditional Name: (3-isopropylsulfonylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)OC

InChI

InChI=1S/C22H25N3O4S2/c1-15(2)31(27,28)17-7-4-6-16(14-17)21(26)24-10-12-25(13-11-24)22-23-20-18(29-3)8-5-9-19(20)30-22/h4-9,14-15H,10-13H2,1-3H3