N-[2-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(1-adamantyl)ethyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[2-(1-adamantyl)ethyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[2-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: 2-(1-adamantyl)ethyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O5S/c26-25(27)21-12-19(31(28,29)24-5-7-30-8-6-24)1-2-20(21)23-4-3-22-13-16-9-17(14-22)11-18(10-16)15-22/h1-2,12,16-18,23H,3-11,13-15H2