2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenoxyphenyl)benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenoxyphenyl)benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenoxyphenyl)benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-(4-phenoxyphenyl)benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenoxyphenyl)benzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenoxyphenyl)benzamide Formula: C25H27ClN3O4S+ MolecularWeight: 501.01758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O4S/c1-2-28-14-16-29(17-15-28)34(31,32)22-12-13-24(26)23(18-22)25(30)27-19-8-10-21(11-9-19)33-20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3,(H,27,30)/p+1