2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-[(E)-2-methylhept-5-enyl]pyrrole hydrochloride

Systemtic Name: 2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-[(E)-2-methylhept-5-enyl]pyrrole hydrochloride Openeye Name: 2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-[(E)-2-methylhept-5-enyl]pyrrole hydrochloride CAS Name: 2-(5-ethylsulfonyl-2-methoxyphenyl)-1-[(E)-2-methylhept-5-enyl]pyrrole hydrochloride IUPAC Name: 2-(5-ethylsulfonyl-2-methoxyphenyl)-1-[(E)-2-methylhept-5-enyl]pyrrole hydrochloride Traditional Name: 2-(5-esyl-2-methoxy-phenyl)-1-[(E)-2-methylhept-5-enyl]pyrrole hydrochloride Formula: C21H30ClNO3S MolecularWeight: 411.9858

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=CN2CC(C)CCC=CC.Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=CN2CC(C)CC/C=C/C.Cl

InChI

InChI=1S/C21H29NO3S.ClH/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;/h5,7,9,11-15,17H,6,8,10,16H2,1-4H3;1H/b7-5+;