4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(2S)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]amine Formula: C23H32N4O6S MolecularWeight: 492.58838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C23H32N4O6S/c1-18-6-9-23(33-18)22(25-12-14-32-15-13-25)17-24-20-8-7-19(16-21(20)27(28)29)34(30,31)26-10-4-2-3-5-11-26/h6-9,16,22,24H,2-5,10-15,17H2,1H3/t22-/m0/s1