1-[1-[5-(3-bromanyl-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]piperidine

Systemtic Name: 1-[1-[5-(3-bromanyl-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]piperidine Openeye Name: 1-[1-[5-(3-bromo-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]piperidine CAS Name: 1-[1-[5-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]piperidine IUPAC Name: 1-[1-[5-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]piperidine Traditional Name: 1-[1-[5-(3-bromo-5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]piperidine Formula: C20H27BrN2O3S MolecularWeight: 455.40898

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C(=C1)C2=CC=C(N2)C(C)N3CCCCC3)OC)Br

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C(=C1)C2=CC=C(N2)C(C)N3CCCCC3)OC)Br

InChI

InChI=1S/C20H27BrN2O3S/c1-4-27(24,25)15-12-16(20(26-3)17(21)13-15)19-9-8-18(22-19)14(2)23-10-6-5-7-11-23/h8-9,12-14,22H,4-7,10-11H2,1-3H3