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

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C27H29N3O6S/c1-18-9-14-23(30(33)34)16-24(18)29(37(5,35)36)17-25(31)28-22-8-6-7-20(15-22)26(32)19-10-12-21(13-11-19)27(2,3)4/h6-16H,17H2,1-5H3,(H,28,31)