N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)adamantan-2-amine

Systemtic Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)adamantan-2-amine Openeye Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)adamantan-2-amine CAS Name: N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-2-adamantanamine IUPAC Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)adamantan-2-amine Traditional Name: 2-adamantyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4S/c24-23(25)19-12-17(28(26,27)22-5-1-2-6-22)3-4-18(19)21-20-15-8-13-7-14(10-15)11-16(20)9-13/h3-4,12-16,20-21H,1-2,5-11H2