N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c1-20-10-11-22(32(30,31)28-12-6-3-7-13-28)18-23(20)25-24(29)19-26-14-16-27(17-15-26)21-8-4-2-5-9-21/h2,4-5,8-11,18H,3,6-7,12-17,19H2,1H3,(H,25,29)/p+1