3-[[4-[(5-azanylnaphthalen-1-yl)sulfonylamino]phenyl]amino]-2,2-dimethyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[(5-azanylnaphthalen-1-yl)sulfonylamino]phenyl]amino]-2,2-dimethyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[(5-amino-1-naphthyl)sulfonylamino]anilino]-2,2-dimethyl-3-oxo-propanoic acid CAS Name: 3-[4-[(5-amino-1-naphthalenyl)sulfonylamino]anilino]-2,2-dimethyl-3-oxopropanoic acid IUPAC Name: 3-[4-[(5-aminonaphthalen-1-yl)sulfonylamino]anilino]-2,2-dimethyl-3-oxopropanoic acid Traditional Name: 3-[4-[(5-amino-1-naphthyl)sulfonylamino]anilino]-3-keto-2,2-dimethyl-propionic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N)C(=O)O

Isomeric SMILES

CC(C)(C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N)C(=O)O

InChI

InChI=1S/C21H21N3O5S/c1-21(2,20(26)27)19(25)23-13-9-11-14(12-10-13)24-30(28,29)18-8-4-5-15-16(18)6-3-7-17(15)22/h3-12,24H,22H2,1-2H3,(H,23,25)(H,26,27)