(phenylmethyl) 2-azanyl-5-[[azanyl-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]pentanoate

Systemtic Name: (phenylmethyl) 2-azanyl-5-[[azanyl-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]pentanoate Openeye Name: benzyl 2-amino-5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylene]amino]pentanoate CAS Name: 2-amino-5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]pentanoate Traditional Name: 2-amino-5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylene]amino]valeric acid benzyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)OCC2=CC=CC=C2)N)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)OCC2=CC=CC=C2)N)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)