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

Systemtic Name: N-[3-(4-ethoxyphenyl)propyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(4-ethoxyphenyl)propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-(4-ethoxyphenyl)propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(4-ethoxyphenyl)propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-(3-p-phenetylpropyl)acetamide Formula: C21H27N3O7S MolecularWeight: 465.51998

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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-])OC)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7S/c1-4-31-18-10-7-16(8-11-18)6-5-13-22-21(25)15-23(32(3,28)29)19-14-17(24(26)27)9-12-20(19)30-2/h7-12,14H,4-6,13,15H2,1-3H3,(H,22,25)