2-[4-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]sulfonylpiperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-[4-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[4-(2-ethylpiperidino)sulfonylphenyl]sulfonylpiperazino]-1,3-benzothiazole Formula: C24H30N4O4S3 MolecularWeight: 534.7144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H30N4O4S3/c1-2-19-7-5-6-14-28(19)35(31,32)21-12-10-20(11-13-21)34(29,30)27-17-15-26(16-18-27)24-25-22-8-3-4-9-23(22)33-24/h3-4,8-13,19H,2,5-7,14-18H2,1H3