[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[2-(dimethylamino)-5-nitrophenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C19H29N5O5S MolecularWeight: 439.52906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N5O5S/c1-20(2)18-8-7-16(24(26)27)15-17(18)19(25)21-11-13-23(14-12-21)30(28,29)22-9-5-3-4-6-10-22/h7-8,15H,3-6,9-14H2,1-2H3