4-[[(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=C(C=C3)C(=O)N)C

InChI

InChI=1S/C22H28N4O4S/c1-15-4-9-20(16(2)14-15)31(29,30)26-12-10-25(11-13-26)17(3)22(28)24-19-7-5-18(6-8-19)21(23)27/h4-9,14,17H,10-13H2,1-3H3,(H2,23,27)(H,24,28)/p+1/t17-/m0/s1