N-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl]propanamide

Systemtic Name: N-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl]propanamide Openeye Name: N-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-isopropyl-amino]methyl]phenyl]propanamide CAS Name: N-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl]propanamide IUPAC Name: N-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl]propanamide Traditional Name: N-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-isopropyl-amino]methyl]phenyl]propionamide Formula: C21H28FN3O3S MolecularWeight: 421.528723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C(C)C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C(C)C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H28FN3O3S/c1-6-21(26)23-18-9-12-20(24(4)5)16(13-18)14-25(15(2)3)29(27,28)19-10-7-17(22)8-11-19/h7-13,15H,6,14H2,1-5H3,(H,23,26)