4-(azepan-1-ylsulfonyl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2-morpholino-3-pyridyl)methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(2-morpholino-3-pyridyl)methyl]amine Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C(N=CC=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C(N=CC=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c28-27(29)21-16-19(33(30,31)26-10-3-1-2-4-11-26)7-8-20(21)24-17-18-6-5-9-23-22(18)25-12-14-32-15-13-25/h5-9,16,24H,1-4,10-15,17H2