N,N-diethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N,N-diethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-(4-nosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5S/c1-3-19(4-2)17(22)14-18-10-5-11-20(13-12-18)27(25,26)16-8-6-15(7-9-16)21(23)24/h6-9H,3-5,10-14H2,1-2H3/p+1