N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1-propan-2-yl-benzimidazol-5-yl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1-propan-2-yl-benzimidazol-5-yl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(1-isopropyl-2-methyl-benzimidazol-5-yl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-methyl-1-propan-2-yl-5-benzimidazolyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(1-isopropyl-2-methyl-benzimidazol-5-yl)benzamide Formula: C35H39N5O5S MolecularWeight: 641.77966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(C)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1C(C)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

InChI

InChI=1S/C35H39N5O5S/c1-21(2)39-22(3)37-31-15-28(8-11-32(31)39)26-4-6-27(7-5-26)34(41)38-46(44,45)29-9-10-30(33(16-29)40(42)43)36-20-35-17-23-12-24(18-35)14-25(13-23)19-35/h4-11,15-16,21,23-25,36H,12-14,17-20H2,1-3H3,(H,38,41)