3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide Openeye Name: N-benzyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(phenylmethyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: N-benzyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: N-benzyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]benzamide Formula: C26H32N3O3S2+ MolecularWeight: 498.68058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@H](CC1=CC=CS1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H31N3O3S2/c1-21(18-24-11-7-17-33-24)29(20-22-8-4-3-5-9-22)26(30)23-10-6-12-25(19-23)34(31,32)28-15-13-27(2)14-16-28/h3-12,17,19,21H,13-16,18,20H2,1-2H3/p+1/t21-/m1/s1