3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]benzamide

Systemtic Name: 3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]benzamide Openeye Name: 3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 3-acetamido-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide Traditional Name: 3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]benzamide Formula: C26H36N5O4S+ MolecularWeight: 514.66014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O4S/c1-3-29-14-16-30(17-15-29)25-11-10-23(36(34,35)31-12-5-4-6-13-31)19-24(25)28-26(33)21-8-7-9-22(18-21)27-20(2)32/h7-11,18-19H,3-6,12-17H2,1-2H3,(H,27,32)(H,28,33)/p+1