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

Systemtic Name: 4-[[azepan-1-ylcarbonyl-[[4-methyl-2-(naphthalen-2-ylsulfonylamino)pentanoyl]amino]amino]methyl]benzenecarboximidamide Openeye Name: 4-[[azepane-1-carbonyl-[[4-methyl-2-(2-naphthylsulfonylamino)pentanoyl]amino]amino]methyl]benzamidine CAS Name: 4-[[[1-azepanyl(oxo)methyl]-[[4-methyl-2-(2-naphthalenylsulfonylamino)-1-oxopentyl]amino]amino]methyl]benzenecarboximidamide IUPAC Name: 4-[[azepane-1-carbonyl-[[4-methyl-2-(naphthalen-2-ylsulfonylamino)pentanoyl]amino]amino]methyl]benzenecarboximidamide Traditional Name: 4-[[azepane-1-carbonyl-[[4-methyl-2-(2-naphthylsulfonylamino)pentanoyl]amino]amino]methyl]benzamidine Formula: C31H40N6O4S MolecularWeight: 592.7521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H40N6O4S/c1-22(2)19-28(35-42(40,41)27-16-15-24-9-5-6-10-26(24)20-27)30(38)34-37(31(39)36-17-7-3-4-8-18-36)21-23-11-13-25(14-12-23)29(32)33/h5-6,9-16,20,22,28,35H,3-4,7-8,17-19,21H2,1-2H3,(H3,32,33)(H,34,38)