[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-piperidin-1-yl-methanone Openeye Name: [4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(1-piperidyl)methanone CAS Name: [4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(1-piperidinyl)methanone IUPAC Name: [4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone Traditional Name: [4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazino]-piperidino-methanone Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-14-12-16(22(24)25)13-17(15(14)2)28(26,27)21-10-8-20(9-11-21)18(23)19-6-4-3-5-7-19/h12-13H,3-11H2,1-2H3