N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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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)NCCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-16-9-11-17(12-10-16)29(26,27)24-15-20(21(25)22-13-6-14-23(2)3)28-19-8-5-4-7-18(19)24/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,22,25)