N-[3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl(p-tolylsulfonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(4-methylphenyl)sulfonylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl(tosyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C26H26N4O4S MolecularWeight: 490.57404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O4S/c1-19-12-14-21(15-13-19)35(33,34)30(18-20-8-3-2-4-9-20)17-7-16-27-26(32)24-28-23-11-6-5-10-22(23)25(31)29-24/h2-6,8-15H,7,16-18H2,1H3,(H,27,32)(H,28,29,31)