N,N-diethyl-2-[4-(4-methoxy-2-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-(4-methoxy-2-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-(4-methoxy-2-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-(4-methoxy-2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-diethyl-2-[4-(4-methoxy-2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-(4-methoxy-2-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CN1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O6S/c1-4-20(5-2)18(23)14-19-9-6-10-21(12-11-19)29(26,27)17-8-7-15(28-3)13-16(17)22(24)25/h7-8,13H,4-6,9-12,14H2,1-3H3