N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C27H29N3O7S MolecularWeight: 539.60006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])OC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])OC)S(=O)(=O)C

InChI

InChI=1S/C27H29N3O7S/c1-27(2,3)20-11-9-18(10-12-20)26(32)19-7-6-8-21(15-19)28-25(31)17-29(38(5,35)36)23-16-22(30(33)34)13-14-24(23)37-4/h6-16H,17H2,1-5H3,(H,28,31)