4-(azepan-1-ylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(2,6-dimethyl-4-morpholinyl)propyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[3-(2,6-dimethylmorpholino)propyl]amine Formula: C21H34N4O5S MolecularWeight: 454.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O5S/c1-17-15-23(16-18(2)30-17)11-7-10-22-20-9-8-19(14-21(20)25(26)27)31(28,29)24-12-5-3-4-6-13-24/h8-9,14,17-18,22H,3-7,10-13,15-16H2,1-2H3