[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone Traditional Name: [2-methyl-5-(4-methylpiperidino)sulfonyl-phenyl]-(4-piperonylpiperazino)methanone Formula: C26H33N3O5S MolecularWeight: 499.62232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H33N3O5S/c1-19-7-9-29(10-8-19)35(31,32)22-5-3-20(2)23(16-22)26(30)28-13-11-27(12-14-28)17-21-4-6-24-25(15-21)34-18-33-24/h3-6,15-16,19H,7-14,17-18H2,1-2H3