1-[4-[4-(2-methoxyethyl)piperazin-1-yl]-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(2-methoxyethyl)piperazin-1-yl]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-[4-(2-methoxyethyl)piperazin-1-yl]-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[4-(2-methoxyethyl)-1-piperazinyl]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-[4-(2-methoxyethyl)piperazin-1-yl]-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[4-(2-methoxyethyl)piperazino]-3-nitro-phenyl]sulfonylazepane Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-28-15-14-20-10-12-21(13-11-20)18-7-6-17(16-19(18)23(24)25)29(26,27)22-8-4-2-3-5-9-22/h6-7,16H,2-5,8-15H2,1H3