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

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-propylphenyl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-propylphenyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(4-propylphenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(4-propylphenyl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-propylphenyl)benzamide Formula: C33H37N3O5S MolecularWeight: 587.72898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C33H37N3O5S/c1-2-3-22-4-6-26(7-5-22)27-8-10-28(11-9-27)32(37)35-42(40,41)29-12-13-30(31(17-29)36(38)39)34-21-33-18-23-14-24(19-33)16-25(15-23)20-33/h4-13,17,23-25,34H,2-3,14-16,18-21H2,1H3,(H,35,37)