2-[4-(3-acetamido-4-methoxy-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(3-acetamido-4-methoxy-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(3-acetamido-4-methoxy-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-(3-acetamido-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-(3-acetamido-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(3-acetamido-4-methoxy-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C20H33N4O5S+ MolecularWeight: 441.56482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)OC

InChI

InChI=1S/C20H32N4O5S/c1-15(25)21-17-13-16(7-8-18(17)29-5)30(27,28)24-10-6-9-23(11-12-24)14-19(26)22-20(2,3)4/h7-8,13H,6,9-12,14H2,1-5H3,(H,21,25)(H,22,26)/p+1