[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-isopropylsulfonylphenyl)methanone CAS Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-(4-isopropylsulfonylphenyl)methanone Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c1-14(2)30(27,28)17-6-3-15(4-7-17)20(26)24-9-11-25(12-10-24)21-23-18-8-5-16(22)13-19(18)29-21/h3-8,13-14H,9-12H2,1-2H3