N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C26H35N3O4S/c30-26(27-20-23-6-2-3-7-24(23)21-28-16-18-33-19-17-28)13-10-22-8-11-25(12-9-22)34(31,32)29-14-4-1-5-15-29/h2-3,6-9,11-12H,1,4-5,10,13-21H2,(H,27,30)/p+1