(2S)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzoylpiperidin-1-ium-1-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: (2S)-2-(4-benzoyl-1-piperidin-1-iumyl)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-benzoylpiperidin-1-ium-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(4-benzoylpiperidin-1-ium-1-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C26H34N3O5S+ MolecularWeight: 500.63026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H33N3O5S/c1-19-8-9-23(18-24(19)35(32,33)29-14-16-34-17-15-29)27-26(31)20(2)28-12-10-22(11-13-28)25(30)21-6-4-3-5-7-21/h3-9,18,20,22H,10-17H2,1-2H3,(H,27,31)/p+1/t20-/m0/s1