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

Systemtic Name: (2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-morpholinosulfonylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[4-(4-morpholinylsulfonyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-morpholinosulfonylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H29N5O4S/c1-18(25-10-12-26(13-11-25)21-4-2-3-9-23-21)22(28)24-19-5-7-20(8-6-19)32(29,30)27-14-16-31-17-15-27/h2-9,18H,10-17H2,1H3,(H,24,28)/p+1/t18-/m0/s1