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

Systemtic Name: 3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]propanamide Openeye Name: 3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-acetamido-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]propanamide Traditional Name: 3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]propionamide Formula: C21H34N5O4S+ MolecularWeight: 452.59076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)NCCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H33N5O4S/c1-17(27)22-9-8-21(28)23-19-16-18(31(29,30)26-10-4-3-5-11-26)6-7-20(19)25-14-12-24(2)13-15-25/h6-7,16H,3-5,8-15H2,1-2H3,(H,22,27)(H,23,28)/p+1