N-[4-(1-adamantyl)phenyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[4-(1-adamantyl)phenyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[4-(1-adamantyl)phenyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [4-(1-adamantyl)phenyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O4S/c30-29(31)25-14-23(34(32,33)28-9-1-2-10-28)7-8-24(25)27-22-5-3-21(4-6-22)26-15-18-11-19(16-26)13-20(12-18)17-26/h3-8,14,18-20,27H,1-2,9-13,15-17H2