4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(3-phenylpropyl)-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(3-phenylpropyl)-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-19-13-15-21(16-14-19)32(29,30)27-18-24(31-23-12-6-5-11-22(23)27)25(28)26-17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-16,24H,7,10,17-18H2,1H3,(H,26,28)