[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-phenethylpiperidin-1-yl)methanone

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-phenethylpiperidin-1-yl)methanone Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-phenethyl-1-piperidyl)methanone CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-(4-phenethyl-1-piperidinyl)methanone IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-(4-phenethylpiperidin-1-yl)methanone Traditional Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-phenethylpiperidino)methanone Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c1-20-7-10-24(29(31)32)19-25(20)35(33,34)28-17-13-23(14-18-28)26(30)27-15-11-22(12-16-27)9-8-21-5-3-2-4-6-21/h2-7,10,19,22-23H,8-9,11-18H2,1H3