4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-nitroaniline Traditional Name: [1-[[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]methyl]cyclopentyl]-dimethyl-amine Formula: C20H32N4O4S MolecularWeight: 424.55748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1(CCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O4S/c1-22(2)20(11-5-6-12-20)16-21-18-10-9-17(15-19(18)24(25)26)29(27,28)23-13-7-3-4-8-14-23/h9-10,15,21H,3-8,11-14,16H2,1-2H3