2-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]-N-(3-phenylpropyl)acetamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCCC1=CC=CC=C1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CN(CC(=O)NCCCC1=CC=CC=C1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-24(12-19(25)22-9-5-8-14-6-3-2-4-7-14)30(27,28)18-11-17-16(10-15(18)21)23-20(26)13-29-17/h2-4,6-7,10-11H,5,8-9,12-13H2,1H3,(H,22,25)(H,23,26)