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

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone Formula: C20H21BrN4O3S3 MolecularWeight: 541.50474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C20H21BrN4O3S3/c21-14-5-6-15-17(13-14)30-20(22-15)24-10-8-23(9-11-24)19(26)16-3-1-7-25(16)31(27,28)18-4-2-12-29-18/h2,4-6,12-13,16H,1,3,7-11H2