[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-[2-methyl-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(2-methyl-5-piperidinosulfonyl-phenyl)methanone Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N3O3S2/c1-18-9-10-20(33(30,31)28-13-5-2-6-14-28)17-21(18)25(29)27-15-11-19(12-16-27)24-26-22-7-3-4-8-23(22)32-24/h3-4,7-10,17,19H,2,5-6,11-16H2,1H3