4-(3-methylbutoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 4-(3-methylbutoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 4-isopentyloxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 4-isoamoxy-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-15(2)10-13-30-17-6-4-16(5-7-17)21(25)23-12-11-22-19-9-8-18(31(3,28)29)14-20(19)24(26)27/h4-9,14-15,22H,10-13H2,1-3H3,(H,23,25)