N-[4-(1-adamantyl)phenyl]-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1-(4-morpholinosulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-1-(4-morpholinosulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxamide Formula: C31H38N4O6S MolecularWeight: 594.72162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC(N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H38N4O6S/c36-30(32-25-5-3-24(4-6-25)31-18-21-14-22(19-31)16-23(15-21)20-31)28-2-1-9-34(28)27-8-7-26(17-29(27)35(37)38)42(39,40)33-10-12-41-13-11-33/h3-8,17,21-23,28H,1-2,9-16,18-20H2,(H,32,36)