N-[3-(4-ethoxyphenyl)propyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(4-ethoxyphenyl)propyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(4-ethoxyphenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-(4-ethoxyphenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(4-ethoxyphenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-(3-p-phenetylpropyl)acetamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-4-30-19-11-8-17(9-12-19)6-5-13-22-21(25)15-23(31(3,28)29)20-14-18(24(26)27)10-7-16(20)2/h7-12,14H,4-6,13,15H2,1-3H3,(H,22,25)