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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-4-isobutoxy-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-4-isobutoxy-benzamide Formula: C27H39N4O5S+ MolecularWeight: 531.68736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O5S/c1-4-29-11-13-30(14-12-29)26-10-9-24(37(33,34)31-15-17-35-18-16-31)19-25(26)28-27(32)22-5-7-23(8-6-22)36-20-21(2)3/h5-10,19,21H,4,11-18,20H2,1-3H3,(H,28,32)/p+1