4-[[azepan-1-ylcarbonyl-[[4-methyl-2-(naphthalen-2-ylsulfonylamino)pentanoyl]amino]amino]methyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[[azepan-1-ylcarbonyl-[[4-methyl-2-(naphthalen-2-ylsulfonylamino)pentanoyl]amino]amino]methyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[[azepane-1-carbonyl-[[4-methyl-2-(2-naphthylsulfonylamino)pentanoyl]amino]amino]methyl]-N'-hydroxy-benzamidine CAS Name: 4-[[[1-azepanyl(oxo)methyl]-[[4-methyl-2-(2-naphthalenylsulfonylamino)-1-oxopentyl]amino]amino]methyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-[[azepane-1-carbonyl-[[4-methyl-2-(naphthalen-2-ylsulfonylamino)pentanoyl]amino]amino]methyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[[azepane-1-carbonyl-[[4-methyl-2-(2-naphthylsulfonylamino)pentanoyl]amino]amino]methyl]-N'-hydroxy-benzamidine Formula: C31H40N6O5S MolecularWeight: 608.7515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NN(CC1=CC=C(C=C1)C(=NO)N)C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(C(=O)NN(CC1=CC=C(C=C1)/C(=N\O)/N)C(=O)N2CCCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H40N6O5S/c1-22(2)19-28(35-43(41,42)27-16-15-24-9-5-6-10-26(24)20-27)30(38)33-37(31(39)36-17-7-3-4-8-18-36)21-23-11-13-25(14-12-23)29(32)34-40/h5-6,9-16,20,22,28,35,40H,3-4,7-8,17-19,21H2,1-2H3,(H2,32,34)(H,33,38)