(2S)-N-methyl-4-[3-[(4-methylphenyl)sulfonylamino]propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-N-methyl-4-[3-[(4-methylphenyl)sulfonylamino]propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-N-methyl-4-[3-(p-tolylsulfonylamino)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-N-methyl-4-[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-N-methyl-4-[3-[(4-methylphenyl)sulfonylamino]propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-N-methyl-4-[3-(tosylamino)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)NC

InChI

InChI=1S/C20H23N3O5S/c1-14-7-9-15(10-8-14)29(26,27)22-12-11-19(24)23-13-18(20(25)21-2)28-17-6-4-3-5-16(17)23/h3-10,18,22H,11-13H2,1-2H3,(H,21,25)/t18-/m0/s1