4-(azepan-1-ylsulfonyl)-N-[(2S)-1-methoxypropan-2-yl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-1-methoxypropan-2-yl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(2S)-1-methoxypropan-2-yl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-1-methoxypropan-2-yl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(1S)-2-methoxy-1-methyl-ethyl]amine Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](COC)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O5S/c1-13(12-24-2)17-15-8-7-14(11-16(15)19(20)21)25(22,23)18-9-5-3-4-6-10-18/h7-8,11,13,17H,3-6,9-10,12H2,1-2H3/t13-/m0/s1