3-[5-(5-bromanylindol-1-yl)sulfonyl-2-ethyl-phenoxy]-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-[5-(5-bromanylindol-1-yl)sulfonyl-2-ethyl-phenoxy]-N,N-dimethyl-propan-1-amine Openeye Name: 3-[5-(5-bromoindol-1-yl)sulfonyl-2-ethyl-phenoxy]-N,N-dimethyl-propan-1-amine CAS Name: 3-[5-[(5-bromo-1-indolyl)sulfonyl]-2-ethylphenoxy]-N,N-dimethyl-1-propanamine IUPAC Name: 3-[5-(5-bromoindol-1-yl)sulfonyl-2-ethylphenoxy]-N,N-dimethylpropan-1-amine Traditional Name: 3-[5-(5-bromoindol-1-yl)sulfonyl-2-ethyl-phenoxy]propyl-dimethyl-amine Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)Br)OCCCN(C)C

Isomeric SMILES

CCC1=C(C=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)Br)OCCCN(C)C

InChI

InChI=1S/C21H25BrN2O3S/c1-4-16-6-8-19(15-21(16)27-13-5-11-23(2)3)28(25,26)24-12-10-17-14-18(22)7-9-20(17)24/h6-10,12,14-15H,4-5,11,13H2,1-3H3