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

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

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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(S3)C=C(C=C4)Cl

Isomeric SMILES

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

InChI

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