4-(azepan-1-ylsulfonyl)-N-ethyl-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-ethyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-ethyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-ethyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-ethyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-ethyl-amine Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4S/c1-2-15-13-8-7-12(11-14(13)17(18)19)22(20,21)16-9-5-3-4-6-10-16/h7-8,11,15H,2-6,9-10H2,1H3