2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C19H29N5O5S MolecularWeight: 439.52906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N5O5S/c1-16-17(7-6-8-18(16)24(26)27)20-19(25)15-21-11-13-23(14-12-21)30(28,29)22-9-4-2-3-5-10-22/h6-8H,2-5,9-15H2,1H3,(H,20,25)