N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazino)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C25H34N4O3S MolecularWeight: 470.62746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H34N4O3S/c1-21-10-11-23(18-24(21)33(31,32)29-12-6-3-7-13-29)26-25(30)20-28-16-14-27(15-17-28)19-22-8-4-2-5-9-22/h2,4-5,8-11,18H,3,6-7,12-17,19-20H2,1H3,(H,26,30)