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

Systemtic Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Openeye Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methanone IUPAC Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Traditional Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone Formula: C22H26N4O3S3 MolecularWeight: 490.66184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C22H26N4O3S3/c1-15-13-16(2)20-18(14-15)31-22(23-20)25-10-8-24(9-11-25)21(27)17-5-3-7-26(17)32(28,29)19-6-4-12-30-19/h4,6,12-14,17H,3,5,7-11H2,1-2H3