N-[(1S,2S)-2-methylcyclohexyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(1S,2S)-2-methylcyclohexyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S/c1-13-4-2-3-5-15(13)18-16-7-6-14(12-17(16)20(21)22)26(23,24)19-8-10-25-11-9-19/h6-7,12-13,15,18H,2-5,8-11H2,1H3/t13-,15-/m0/s1