4-(azepan-1-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C24H38N3O4S+ MolecularWeight: 464.64122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C24H37N3O4S/c28-23(25-20-24(12-4-3-5-13-24)26-16-18-31-19-17-26)21-8-10-22(11-9-21)32(29,30)27-14-6-1-2-7-15-27/h8-11H,1-7,12-20H2,(H,25,28)/p+1