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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-butyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-butyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-butyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-butyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-butyl-amine Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4S/c1-2-3-10-17-15-9-8-14(13-16(15)19(20)21)24(22,23)18-11-6-4-5-7-12-18/h8-9,13,17H,2-7,10-12H2,1H3