4-(azepan-1-ylsulfonyl)-2-nitro-N-pentan-3-yl-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-pentan-3-yl-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1-ethylpropyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-pentan-3-ylaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-pentan-3-ylaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(1-ethylpropyl)amine Formula: C17H27N3O4S MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O4S/c1-3-14(4-2)18-16-10-9-15(13-17(16)20(21)22)25(23,24)19-11-7-5-6-8-12-19/h9-10,13-14,18H,3-8,11-12H2,1-2H3