[5-[[azanyl-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]azanium

Systemtic Name: [5-[[azanyl-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]azanium Openeye Name: [4-[[amino-[(4-methoxyphenyl)sulfonylamino]methylene]amino]-1-benzyloxycarbonyl-butyl]ammonium CAS Name: [5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]-1-oxo-1-phenylmethoxypentan-2-yl]ammonium IUPAC Name: [5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]-1-oxo-1-phenylmethoxypentan-2-yl]azanium Traditional Name: [4-[[amino-[(4-methoxyphenyl)sulfonylamino]methylene]amino]-1-carbobenzoxy-butyl]ammonium Formula: C20H27N4O5S+ MolecularWeight: 435.51718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)OCC2=CC=CC=C2)[NH3+])N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)OCC2=CC=CC=C2)[NH3+])N

InChI

InChI=1S/C20H26N4O5S/c1-28-16-9-11-17(12-10-16)30(26,27)24-20(22)23-13-5-8-18(21)19(25)29-14-15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14,21H2,1H3,(H3,22,23,24)/p+1