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

Systemtic Name: 1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]azepane Openeye Name: 1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]azepane CAS Name: 1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]azepane IUPAC Name: 1-ethyl-2-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]azepane Traditional Name: 2-[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]-1-ethyl-azepane Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/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