(2S)-2-(3-chloranylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide

Systemtic Name: (2S)-2-(3-chloranylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Openeye Name: (2S)-2-(3-chlorophenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide CAS Name: (2S)-2-(3-chlorophenoxy)-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: (2S)-2-(3-chlorophenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: (2S)-2-(3-chlorophenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H](C)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-3-24-11-13-25(14-12-24)30(27,28)20-9-7-18(8-10-20)23-21(26)16(2)29-19-6-4-5-17(22)15-19/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1