N-[(1S)-2-methyl-1-phenyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S)-2-methyl-1-phenyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(1S)-2-methyl-1-phenyl-propyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(1S)-2-methyl-1-phenylpropyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1S)-2-methyl-1-phenylpropyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(1S)-2-methyl-1-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(C)C(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-17(2)21(18-8-5-4-6-9-18)23-22(26)19-10-7-11-20(16-19)29(27,28)25-14-12-24(3)13-15-25/h4-11,16-17,21H,12-15H2,1-3H3,(H,23,26)/p+1/t21-/m0/s1