N-[(4-imidazol-1-ylphenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2C=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-30(28,29)23(17-3-2-4-18(11-17)24(26)27)13-19(25)21-12-15-5-7-16(8-6-15)22-10-9-20-14-22/h2-11,14H,12-13H2,1H3,(H,21,25)