1-[2,5-dimethyl-1-(phenylsulfonyl)pyrrol-3-yl]sulfonylpiperidine

Systemtic Name: 1-[2,5-dimethyl-1-(phenylsulfonyl)pyrrol-3-yl]sulfonylpiperidine Openeye Name: 1-[1-(benzenesulfonyl)-2,5-dimethyl-pyrrol-3-yl]sulfonylpiperidine CAS Name: 1-[[1-(benzenesulfonyl)-2,5-dimethyl-3-pyrrolyl]sulfonyl]piperidine IUPAC Name: 1-[1-(benzenesulfonyl)-2,5-dimethylpyrrol-3-yl]sulfonylpiperidine Traditional Name: 1-(1-besyl-2,5-dimethyl-pyrrol-3-yl)sulfonylpiperidine Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H22N2O4S2/c1-14-13-17(25(22,23)18-11-7-4-8-12-18)15(2)19(14)24(20,21)16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3