(2S)-2-(4-methylpiperazin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propanamide CAS Name: (2S)-2-(4-methyl-1-piperazin-1-iumyl)-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propionamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)C

InChI

InChI=1S/C18H28N4O4S/c1-15(21-8-6-20(2)7-9-21)18(23)19-16-4-3-5-17(14-16)27(24,25)22-10-12-26-13-11-22/h3-5,14-15H,6-13H2,1-2H3,(H,19,23)/p+1/t15-/m0/s1