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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O3S/c1-18(11-12-19-7-4-3-5-8-19)23-22(26)20-9-6-10-21(17-20)29(27,28)25-15-13-24(2)14-16-25/h3-10,17-18H,11-16H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1