N-[4-(1-adamantyl)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C29H35N3O5S MolecularWeight: 537.6703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35N3O5S/c1-19-2-7-26(32(34)35)15-27(19)38(36,37)31-10-8-23(9-11-31)28(33)30-25-5-3-24(4-6-25)29-16-20-12-21(17-29)14-22(13-20)18-29/h2-7,15,20-23H,8-14,16-18H2,1H3,(H,30,33)