2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]acetamide Formula: C26H36ClN4O4S+ MolecularWeight: 536.10644

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)N3CCCCC3)NC(=O)COC4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C26H35ClN4O4S/c1-3-29-13-15-30(16-14-29)25-10-8-22(36(33,34)31-11-5-4-6-12-31)18-24(25)28-26(32)19-35-21-7-9-23(27)20(2)17-21/h7-10,17-18H,3-6,11-16,19H2,1-2H3,(H,28,32)/p+1