[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methanone IUPAC Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C23H28N4O3S3 MolecularWeight: 504.68842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C23H28N4O3S3/c1-16-7-8-19-21(17(16)2)24-23(32-19)26-12-10-25(11-13-26)22(28)18-5-3-9-27(15-18)33(29,30)20-6-4-14-31-20/h4,6-8,14,18H,3,5,9-13,15H2,1-2H3