3-bromanyl-4-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3-bromo-4-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3-bromo-4-methoxy-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-bromo-4-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3-bromo-4-methoxy-N-[4-(pyrrolidinomethyl)benzyl]benzenesulfonamide Formula: C19H23BrN2O3S MolecularWeight: 439.36652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)CN3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)CN3CCCC3)Br

InChI

InChI=1S/C19H23BrN2O3S/c1-25-19-9-8-17(12-18(19)20)26(23,24)21-13-15-4-6-16(7-5-15)14-22-10-2-3-11-22/h4-9,12,21H,2-3,10-11,13-14H2,1H3