azepan-1-yl-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]methanone

Systemtic Name: azepan-1-yl-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]methanone Openeye Name: azepan-1-yl-[4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[4-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonylphenyl]methanone Formula: C25H29N3O3S2 MolecularWeight: 483.64606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S2/c29-25(27-15-5-1-2-6-16-27)20-9-11-21(12-10-20)33(30,31)28-17-13-19(14-18-28)24-26-22-7-3-4-8-23(22)32-24/h3-4,7-12,19H,1-2,5-6,13-18H2