1-[4-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-[3-(2,5-dimethylpyrrolidin-1-yl)-1-piperidyl]-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[3-(2,5-dimethyl-1-pyrrolidinyl)-1-piperidinyl]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[3-(2,5-dimethylpyrrolidino)piperidino]-3-nitro-phenyl]sulfonylazepane Formula: C23H36N4O4S MolecularWeight: 464.62134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2CCCN(C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1CCC(N1C2CCCN(C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H36N4O4S/c1-18-9-10-19(2)26(18)20-8-7-13-24(17-20)22-12-11-21(16-23(22)27(28)29)32(30,31)25-14-5-3-4-6-15-25/h11-12,16,18-20H,3-10,13-15,17H2,1-2H3