methyl (2S)-2-acetamido-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoate

Systemtic Name: methyl (2S)-2-acetamido-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoate Openeye Name: methyl (2S)-2-acetamido-6-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]hexanoate CAS Name: (2S)-2-acetamido-6-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoate Traditional Name: (2S)-2-acetamido-6-(naphthionylamino)hexanoic acid methyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)C(=O)OC

InChI

InChI=1S/C21H29N3O5S/c1-15(25)23-18(21(26)29-4)11-5-6-14-22-30(27,28)20-13-8-9-16-17(20)10-7-12-19(16)24(2)3/h7-10,12-13,18,22H,5-6,11,14H2,1-4H3,(H,23,25)/t18-/m0/s1