2-[1-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C24H29N3O4S3 MolecularWeight: 519.69976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H29N3O4S3/c1-18-6-4-5-15-27(18)34(30,31)21-11-9-20(10-12-21)33(28,29)26-16-13-19(14-17-26)24-25-22-7-2-3-8-23(22)32-24/h2-3,7-12,18-19H,4-6,13-17H2,1H3/t18-/m0/s1