N-[(1R)-1-cyclopropylethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H27N3O3S/c1-16(17-6-7-17)22-21(25)15-23-10-12-24(13-11-23)28(26,27)20-9-8-18-4-2-3-5-19(18)14-20/h2-5,8-9,14,16-17H,6-7,10-13,15H2,1H3,(H,22,25)/p+1/t16-/m1/s1