5-[[2-(propan-2-ylamino)ethyl-(1,3-thiazol-4-ylcarbonyl)amino]methyl]naphthalene-1-sulfonic acid

Systemtic Name: 5-[[2-(propan-2-ylamino)ethyl-(1,3-thiazol-4-ylcarbonyl)amino]methyl]naphthalene-1-sulfonic acid Openeye Name: 5-[[2-(isopropylamino)ethyl-(thiazole-4-carbonyl)amino]methyl]naphthalene-1-sulfonic acid CAS Name: 5-[[[oxo(4-thiazolyl)methyl]-[2-(propan-2-ylamino)ethyl]amino]methyl]-1-naphthalenesulfonic acid IUPAC Name: 5-[[2-(propan-2-ylamino)ethyl-(1,3-thiazole-4-carbonyl)amino]methyl]naphthalene-1-sulfonic acid Traditional Name: 5-[[2-(isopropylamino)ethyl-(thiazole-4-carbonyl)amino]methyl]naphthalene-1-sulfonic acid Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCN(CC1=CC=CC2=C1C=CC=C2S(=O)(=O)O)C(=O)C3=CSC=N3

Isomeric SMILES

CC(C)NCCN(CC1=CC=CC2=C1C=CC=C2S(=O)(=O)O)C(=O)C3=CSC=N3

InChI

InChI=1S/C20H23N3O4S2/c1-14(2)21-9-10-23(20(24)18-12-28-13-22-18)11-15-5-3-7-17-16(15)6-4-8-19(17)29(25,26)27/h3-8,12-14,21H,9-11H2,1-2H3,(H,25,26,27)