N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-2-(4-isopropylsulfonylphenyl)acetamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-2-(4-isopropylsulfonylphenyl)acetamide Formula: C29H36N4O3S MolecularWeight: 520.68614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H36N4O3S/c1-23(2)37(35,36)27-12-10-24(11-13-27)19-29(34)31-21-28(26-9-6-14-30-20-26)33-17-15-32(16-18-33)22-25-7-4-3-5-8-25/h3-14,20,23,28H,15-19,21-22H2,1-2H3,(H,31,34)