2-(3-methylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)propan-1-one CAS Name: 2-(3-methylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)propan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3-methylphenoxy)propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17-7-6-10-20(15-17)27-18(2)21(24)22-11-13-23(14-12-22)28(25,26)16-19-8-4-3-5-9-19/h3-10,15,18H,11-14,16H2,1-2H3