N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2,4-dimethyl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-2,4-dimethyl-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-2,4-dimethylbenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2,4-dimethylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-2,4-dimethyl-benzamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C25H34N4O4S/c1-4-27-9-11-28(12-10-27)24-8-6-21(34(31,32)29-13-15-33-16-14-29)18-23(24)26-25(30)22-7-5-19(2)17-20(22)3/h5-8,17-18H,4,9-16H2,1-3H3,(H,26,30)/p+1