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

Systemtic Name: (2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)propanamide CAS Name: (2S)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)propionamide Formula: C21H31N4O5S+ MolecularWeight: 451.55964

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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(=O)C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H30N4O5S/c1-16(23-7-9-24(10-8-23)21(27)17-5-6-17)20(26)22-18-3-2-4-19(15-18)31(28,29)25-11-13-30-14-12-25/h2-4,15-17H,5-14H2,1H3,(H,22,26)/p+1/t16-/m0/s1