N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-15(2)21(16-4-6-17(29-3)7-5-16)22-19-9-8-18(14-20(19)24(25)26)31(27,28)23-10-12-30-13-11-23/h4-9,14-15,21-22H,10-13H2,1-3H3/t21-/m1/s1