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

Systemtic Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methanone IUPAC Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Traditional Name: [4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone Formula: C23H28N4O3S3 MolecularWeight: 504.68842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C23H28N4O3S3/c1-16-14-17(2)21-19(15-16)32-23(24-21)26-11-9-25(10-12-26)22(28)18-5-7-27(8-6-18)33(29,30)20-4-3-13-31-20/h3-4,13-15,18H,5-12H2,1-2H3