(2R)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C24H25N4O3S+ MolecularWeight: 449.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24N4O3S/c1-18(24(29)26-22-8-4-5-19(15-22)17-25)27-11-13-28(14-12-27)32(30,31)23-10-9-20-6-2-3-7-21(20)16-23/h2-10,15-16,18H,11-14H2,1H3,(H,26,29)/p+1/t18-/m1/s1