N-(4-morpholin-4-ylsulfonylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(4-morpholinosulfonylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C28H33N4O4S+ MolecularWeight: 521.65102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O4S/c33-28(29-25-10-12-27(13-11-25)37(34,35)32-18-20-36-21-19-32)24-8-6-23(7-9-24)22-30-14-16-31(17-15-30)26-4-2-1-3-5-26/h1-13H,14-22H2,(H,29,33)/p+1