4,5-dimethyl-3-(phenylsulfonyl)-1-(2-pyridin-4-ylethyl)pyrrol-2-amine

Systemtic Name: 4,5-dimethyl-3-(phenylsulfonyl)-1-(2-pyridin-4-ylethyl)pyrrol-2-amine Openeye Name: 3-(benzenesulfonyl)-4,5-dimethyl-1-[2-(4-pyridyl)ethyl]pyrrol-2-amine CAS Name: 3-(benzenesulfonyl)-4,5-dimethyl-1-(2-pyridin-4-ylethyl)-2-pyrrolamine IUPAC Name: 3-(benzenesulfonyl)-4,5-dimethyl-1-(2-pyridin-4-ylethyl)pyrrol-2-amine Traditional Name: [3-besyl-4,5-dimethyl-1-[2-(4-pyridyl)ethyl]pyrrol-2-yl]amine Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CCC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CCC3=CC=NC=C3)C

InChI

InChI=1S/C19H21N3O2S/c1-14-15(2)22(13-10-16-8-11-21-12-9-16)19(20)18(14)25(23,24)17-6-4-3-5-7-17/h3-9,11-12H,10,13,20H2,1-2H3