1-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(3-methyl-1-piperidyl)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(3-methylpiperidin-1-yl)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(3-methylpiperidino)-3-nitro-phenyl]sulfonylazepane Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4S/c1-15-7-6-10-19(14-15)17-9-8-16(13-18(17)21(22)23)26(24,25)20-11-4-2-3-5-12-20/h8-9,13,15H,2-7,10-12,14H2,1H3