N-[2-[(2S)-butan-2-yl]phenyl]-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[2-[(1S)-1-methylpropyl]phenyl]benzamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[2-[(1S)-1-methylpropyl]phenyl]benzamide Formula: C23H31ClN3O3S+ MolecularWeight: 465.02854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC)Cl

InChI

InChI=1S/C23H30ClN3O3S/c1-4-17(3)19-8-6-7-9-22(19)25-23(28)20-16-18(10-11-21(20)24)31(29,30)27-14-12-26(5-2)13-15-27/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,25,28)/p+1/t17-/m0/s1