2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[3-(4-morpholin-4-iumyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-morpholin-4-ium-4-ylpropylamino)oxazole-4-carbonitrile Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC[NH+]4CCOCC4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C23H31N5O4S/c24-18-21-23(25-10-5-11-27-14-16-31-17-15-27)32-22(26-21)19-6-8-20(9-7-19)33(29,30)28-12-3-1-2-4-13-28/h6-9,25H,1-5,10-17H2/p+1