[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(3-methylpiperidin-1-yl)sulfonylphenyl]-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [4-(3-methylpiperidin-1-yl)sulfonylphenyl]-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-[4-(3-methylpiperidino)sulfonylphenyl]methanone Formula: C25H30N4O5S3 MolecularWeight: 562.7245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=CC=C5S(=O)(=O)C

InChI

InChI=1S/C25H30N4O5S3/c1-18-5-4-12-29(17-18)37(33,34)20-10-8-19(9-11-20)24(30)27-13-15-28(16-14-27)25-26-23-21(35-25)6-3-7-22(23)36(2,31)32/h3,6-11,18H,4-5,12-17H2,1-2H3