2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-(2-methylheptyl)pyrrole

Systemtic Name: 2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-(2-methylheptyl)pyrrole Openeye Name: 2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-(2-methylheptyl)pyrrole CAS Name: 2-(5-ethylsulfonyl-2-methoxyphenyl)-1-(2-methylheptyl)pyrrole IUPAC Name: 2-(5-ethylsulfonyl-2-methoxyphenyl)-1-(2-methylheptyl)pyrrole Traditional Name: 2-(5-esyl-2-methoxy-phenyl)-1-(2-methylheptyl)pyrrole Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CN1C=CC=C1C2=C(C=CC(=C2)S(=O)(=O)CC)OC

Isomeric SMILES

CCCCCC(C)CN1C=CC=C1C2=C(C=CC(=C2)S(=O)(=O)CC)OC

InChI

InChI=1S/C21H31NO3S/c1-5-7-8-10-17(3)16-22-14-9-11-20(22)19-15-18(26(23,24)6-2)12-13-21(19)25-4/h9,11-15,17H,5-8,10,16H2,1-4H3