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

Systemtic Name: 3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]propanamide Openeye Name: 3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-acetamido-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]propanamide Traditional Name: 3-acetamido-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]propionamide Formula: C22H36N5O4S+ MolecularWeight: 466.61734

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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)CCNC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O4S/c1-3-25-13-15-26(16-14-25)21-8-7-19(32(30,31)27-11-5-4-6-12-27)17-20(21)24-22(29)9-10-23-18(2)28/h7-8,17H,3-6,9-16H2,1-2H3,(H,23,28)(H,24,29)/p+1