2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(1-azepanylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C24H29N3O4S3 MolecularWeight: 519.69976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H29N3O4S3/c28-33(29,26-15-5-1-2-6-16-26)20-9-11-21(12-10-20)34(30,31)27-17-13-19(14-18-27)24-25-22-7-3-4-8-23(22)32-24/h3-4,7-12,19H,1-2,5-6,13-18H2