ethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-(pyridin-2-ylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-(pyridin-2-ylmethyl)amino]ethanoate Openeye Name: ethyl 2-[[5-(dimethylamino)-1-naphthyl]sulfonyl-(2-pyridylmethyl)amino]acetate CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-(2-pyridinylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-(pyridin-2-ylmethyl)amino]acetate Traditional Name: 2-[naphthionyl(2-pyridylmethyl)amino]acetic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=N1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=N1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C22H25N3O4S/c1-4-29-22(26)16-25(15-17-9-5-6-14-23-17)30(27,28)21-13-8-10-18-19(21)11-7-12-20(18)24(2)3/h5-14H,4,15-16H2,1-3H3