N-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: N-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-isopropyl-N-phenyl-acetamide CAS Name: N-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-isopropyl-N-phenyl-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-19(2)25(21-11-7-4-8-12-21)22(26)17-23-13-15-24(16-14-23)29(27,28)18-20-9-5-3-6-10-20/h3-12,19H,13-18H2,1-2H3/p+1