N-[1-[4-(4-ethanoylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[1-[4-(4-ethanoylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[1-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-[1-[4-(4-acetylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[1-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C25H30N4O6S2 MolecularWeight: 546.6589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCSC)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCSC)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

InChI

InChI=1S/C25H30N4O6S2/c1-17(30)18-4-6-19(7-5-18)28-11-13-29(14-12-28)24(31)21(10-15-36-3)26-37(33,34)20-8-9-22-23(16-20)35-25(32)27(22)2/h4-9,16,21,26H,10-15H2,1-3H3