4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-3-nitro-benzamide Formula: C18H27N5O5S MolecularWeight: 425.50248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O5S/c19-18(24)15-5-6-16(17(13-15)23(25)26)14-20-9-11-22(12-10-20)29(27,28)21-7-3-1-2-4-8-21/h5-6,13H,1-4,7-12,14H2,(H2,19,24)