N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O4S/c1-21-8-9-23(34(31,32)29-14-16-33-17-15-29)18-24(21)26-25(30)20-28-11-5-10-27(12-13-28)19-22-6-3-2-4-7-22/h2-4,6-9,18H,5,10-17,19-20H2,1H3,(H,26,30)/p+1