N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-ethylphenyl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-ethylphenyl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-ethylphenyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(4-ethylphenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(4-ethylphenyl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-ethylphenyl)benzamide Formula: C32H35N3O5S MolecularWeight: 573.7024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C32H35N3O5S/c1-2-21-3-5-25(6-4-21)26-7-9-27(10-8-26)31(36)34-41(39,40)28-11-12-29(30(16-28)35(37)38)33-20-32-17-22-13-23(18-32)15-24(14-22)19-32/h3-12,16,22-24,33H,2,13-15,17-20H2,1H3,(H,34,36)