N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H30N3O4S2+ MolecularWeight: 452.6106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H29N3O4S2/c1-16(2)21(17-6-8-18(28-3)9-7-17)22-19(25)15-23-10-12-24(13-11-23)30(26,27)20-5-4-14-29-20/h4-9,14,16,21H,10-13,15H2,1-3H3,(H,22,25)/p+1/t21-/m1/s1