1-[2-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[2-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[2-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[2-[1-(3-bromophenyl)sulfonyl-2-pyrrolidinyl]ethyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[2-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[2-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC=C2)Br)CCC3C4=CC=CC=C4CCN3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC(=CC=C2)Br)CCC3C4=CC=CC=C4CCN3

InChI

InChI=1S/C21H25BrN2O2S/c22-17-6-3-8-19(15-17)27(25,26)24-14-4-7-18(24)10-11-21-20-9-2-1-5-16(20)12-13-23-21/h1-3,5-6,8-9,15,18,21,23H,4,7,10-14H2