methyl 2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]acetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetyl]amino]-4-methylpentanoate Traditional Name: 4-methyl-2-[[2-(naphthionylamino)acetyl]amino]valeric acid methyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C21H29N3O5S/c1-14(2)12-17(21(26)29-5)23-20(25)13-22-30(27,28)19-11-7-8-15-16(19)9-6-10-18(15)24(3)4/h6-11,14,17,22H,12-13H2,1-5H3,(H,23,25)