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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-23(2)14-8-13-22-21(25)20-15-24(18-11-6-7-12-19(18)28-20)29(26,27)16-17-9-4-3-5-10-17/h3-7,9-12,20H,8,13-16H2,1-2H3,(H,22,25)