3-(nonadecan-2-ylamino)-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzenesulfonic acid

Systemtic Name: 3-(nonadecan-2-ylamino)-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzenesulfonic acid Openeye Name: 3-(1-methyloctadecylamino)-4-[(3-oxo-3-phenyl-propanoyl)amino]benzenesulfonic acid CAS Name: 4-[(1,3-dioxo-3-phenylpropyl)amino]-3-(nonadecan-2-ylamino)benzenesulfonic acid IUPAC Name: 3-(nonadecan-2-ylamino)-4-[(3-oxo-3-phenylpropanoyl)amino]benzenesulfonic acid Traditional Name: 4-[(3-keto-3-phenyl-propanoyl)amino]-3-(1-methyloctadecylamino)besylic acid Formula: C34H52N2O5S MolecularWeight: 600.85208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=CC(=C1)S(=O)(=O)O)NC(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=CC(=C1)S(=O)(=O)O)NC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C34H52N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-28(2)35-32-26-30(42(39,40)41)24-25-31(32)36-34(38)27-33(37)29-22-19-17-20-23-29/h17,19-20,22-26,28,35H,3-16,18,21,27H2,1-2H3,(H,36,38)(H,39,40,41)