N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)adamantan-2-amine

Systemtic Name: N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)adamantan-2-amine Openeye Name: N-(4-morpholinosulfonyl-2-nitro-phenyl)adamantan-2-amine CAS Name: N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-2-adamantanamine IUPAC Name: N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)adamantan-2-amine Traditional Name: 2-adamantyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5S/c24-23(25)19-12-17(29(26,27)22-3-5-28-6-4-22)1-2-18(19)21-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20-21H,3-11H2