(phenylmethyl) (NE)-N-[azanyl-[(2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-phenyl)carbonylamino]methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[azanyl-[(2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-phenyl)carbonylamino]methylidene]carbamate Openeye Name: benzyl (NE)-N-[amino-[(2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoyl)amino]methylene]carbamate CAS Name: (NE)-N-[amino-[[[2-methyl-5-methylsulfonyl-4-(1-pyrrolyl)phenyl]-oxomethyl]amino]methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[amino-[(2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzoyl)amino]methylidene]carbamate Traditional Name: (NE)-N-[amino-[(5-mesyl-2-methyl-4-pyrrol-1-yl-benzoyl)amino]methylene]carbamic acid benzyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)NC(=NC(=O)OCC2=CC=CC=C2)N)S(=O)(=O)C)N3C=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N/C(=N/C(=O)OCC2=CC=CC=C2)/N)S(=O)(=O)C)N3C=CC=C3

InChI

InChI=1S/C22H22N4O5S/c1-15-12-18(26-10-6-7-11-26)19(32(2,29)30)13-17(15)20(27)24-21(23)25-22(28)31-14-16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H3,23,24,25,27,28)