N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-chloranylthiophen-3-yl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-chloranylthiophen-3-yl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-chloro-3-thienyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-chloro-3-thiophenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-chlorothiophen-3-yl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-chloro-3-thienyl)benzamide Formula: C28H28ClN3O5S2 MolecularWeight: 586.12202

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=C(SC=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=C(SC=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H28ClN3O5S2/c29-26-23(7-8-38-26)20-1-3-21(4-2-20)27(33)31-39(36,37)22-5-6-24(25(12-22)32(34)35)30-16-28-13-17-9-18(14-28)11-19(10-17)15-28/h1-8,12,17-19,30H,9-11,13-16H2,(H,31,33)