3,3-dimethyl-N-[[4-(3-pyrrolidin-1-ylsulfonylpyridin-2-yl)phenyl]methyl]butan-1-amine

Systemtic Name: 3,3-dimethyl-N-[[4-(3-pyrrolidin-1-ylsulfonylpyridin-2-yl)phenyl]methyl]butan-1-amine Openeye Name: 3,3-dimethyl-N-[[4-(3-pyrrolidin-1-ylsulfonyl-2-pyridyl)phenyl]methyl]butan-1-amine CAS Name: 3,3-dimethyl-N-[[4-[3-(1-pyrrolidinylsulfonyl)-2-pyridinyl]phenyl]methyl]-1-butanamine IUPAC Name: 3,3-dimethyl-N-[[4-(3-pyrrolidin-1-ylsulfonylpyridin-2-yl)phenyl]methyl]butan-1-amine Traditional Name: 3,3-dimethylbutyl-[4-(3-pyrrolidinosulfonyl-2-pyridyl)benzyl]amine Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNCC1=CC=C(C=C1)C2=C(C=CC=N2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)CCNCC1=CC=C(C=C1)C2=C(C=CC=N2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H31N3O2S/c1-22(2,3)12-14-23-17-18-8-10-19(11-9-18)21-20(7-6-13-24-21)28(26,27)25-15-4-5-16-25/h6-11,13,23H,4-5,12,14-17H2,1-3H3