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

Systemtic Name: (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-morpholinosulfonylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[3-(4-morpholinylsulfonyl)phenyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-(4-isonicotinoylpiperazin-1-ium-1-yl)-N-(3-morpholinosulfonylphenyl)propionamide Formula: C23H30N5O5S+ MolecularWeight: 488.5798

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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)C4=CC=NC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H29N5O5S/c1-18(26-9-11-27(12-10-26)23(30)19-5-7-24-8-6-19)22(29)25-20-3-2-4-21(17-20)34(31,32)28-13-15-33-16-14-28/h2-8,17-18H,9-16H2,1H3,(H,25,29)/p+1/t18-/m0/s1