1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]azepane hydrochloride

Systemtic Name: 1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]azepane hydrochloride Openeye Name: 1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]azepane hydrochloride CAS Name: 1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]azepane hydrochloride IUPAC Name: 1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]azepane hydrochloride Traditional Name: 2-[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]-1-ethyl-azepane hydrochloride Formula: C21H31ClN2O3S MolecularWeight: 427.00044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCCC1C2=CC=C(N2)C3=C(C=CC(=C3)S(=O)(=O)CC)OC.Cl

Isomeric SMILES

CCN1CCCCCC1C2=CC=C(N2)C3=C(C=CC(=C3)S(=O)(=O)CC)OC.Cl

InChI

InChI=1S/C21H30N2O3S.ClH/c1-4-23-14-8-6-7-9-20(23)19-12-11-18(22-19)17-15-16(27(24,25)5-2)10-13-21(17)26-3;/h10-13,15,20,22H,4-9,14H2,1-3H3;1H