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

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C22H23BrN4O3S2 MolecularWeight: 535.47702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C22H23BrN4O3S2/c23-17-5-8-19-20(15-17)31-22(24-19)26-13-11-25(12-14-26)21(28)16-3-6-18(7-4-16)32(29,30)27-9-1-2-10-27/h3-8,15H,1-2,9-14H2