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

Systemtic Name: 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(azepan-1-ylsulfonyl)-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-(1-azepanylsulfonyl)-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(azepan-1-ylsulfonyl)-4-piperidyl]-1,3-benzothiazole Formula: C18H25N3O2S2 MolecularWeight: 379.54

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H25N3O2S2/c22-25(23,20-11-5-1-2-6-12-20)21-13-9-15(10-14-21)18-19-16-7-3-4-8-17(16)24-18/h3-4,7-8,15H,1-2,5-6,9-14H2